ChemSpider 2D Image | THIQ | C33H41ClN6O2

THIQ

  • Molecular FormulaC33H41ClN6O2
  • Average mass589.171 Da
  • Monoisotopic mass588.297974 Da
  • ChemSpider ID8114027

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3r)-n-[(1r)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1h-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-{4-cyclohexyl-4-[(1H-1,2,4-triazol-1-yl)methyl]piperidin-1-yl}-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
(3R)-N-{(2R)-3-(4-Chlorophényl)-1-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylméthyl)-1-pipéridinyl]-1-oxo-2-propanyl}-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
(3R)-N-{(2R)-3-(4-Chlorophenyl)-1-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-1-oxo-2-propanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]
(3R)-N-{(2R)-3-(4-Chlorophenyl)-1-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
(3R)-N-{(2R)-3-(4-Chlorphenyl)-1-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-1-oxo-2-propanyl}-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
312637-48-2 [RN]
3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-, (3R)- [ACD/Index Name]
THIQ [Wiki]
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3032
      Melanocortin Receptors Tocris Bioscience 3032
      Peptide Receptors Tocris Bioscience 3032
      Potent and selective MC4 receptor agonist Tocris Bioscience 3032
      Potent and selective melanocortin 4 (MC4) receptor agonist (IC50 values are 1.2, 761 and 2067 nM for human MC4, MC3 and MC1 receptors respectively). Enhances intracavernosal pressure and stimulates er ectile activity in rats ex copula following systemic administration. Tocris Bioscience 3032
      Potent and selective melanocortin 4 (MC4) receptor agonist (IC50 values are 1.2, 761 and 2067 nM for human MC4, MC3 and MC1 receptors respectively). Enhances intracavernosal pressure and stimulates erectile activity in rats ex copula following systemic administration. Tocris Bioscience 3032

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 166.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 31.50
ACD/KOC (pH 5.5): 107.21
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1404.80
ACD/KOC (pH 7.4): 4780.65
Polar Surface Area: 92 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 441.4±7.0 cm3

Click to predict properties on the Chemicalize site


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