ChemSpider 2D Image | (2R)-2-carbamimidamido-2-cyclohexyl-N-(2-{4-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethyl)ethanamide | C25H33Cl2N7O2

(2R)-2-carbamimidamido-2-cyclohexyl-N-(2-{4-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethyl)ethanamide

  • Molecular FormulaC25H33Cl2N7O2
  • Average mass534.481 Da
  • Monoisotopic mass533.207275 Da
  • ChemSpider ID9412985

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-carbamimidamido-2-cyclohexyl-N-(2-{4-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethyl)ethanamide
(2R)-2-Cyclohexyl-2-[(diaminomethylen)amino]-N-(2-{4-[3-(3,4-dichlorphenyl)-1H-pyrazol-5-yl]-1-piperidinyl}-2-oxoethyl)acetamid [German] [ACD/IUPAC Name]
(2R)-2-Cyclohexyl-2-[(diaminomethylene)amino]-N-(2-{4-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl}-2-oxoethyl)acetamide [ACD/IUPAC Name]
(2R)-2-Cyclohexyl-2-[(diaminométhylène)amino]-N-(2-{4-[3-(3,4-dichlorophényl)-1H-pyrazol-5-yl]-1-pipéridinyl}-2-oxoéthyl)acétamide [French] [ACD/IUPAC Name]
Cyclohexaneacetamide, α-[(diaminomethylene)amino]-N-[2-[4-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-oxoethyl]-, (αR)- [ACD/Index Name]
2-(R)-Cyclohexyl-N-(2-{4-[5-(3,4-dichloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide
CHEMBL321540
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL321540/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 138.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 19.18
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 19.58
Polar Surface Area: 142 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

Click to predict properties on the Chemicalize site


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