ChemSpider 2D Image | 7-Chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]-3-quinolinecarboxamide | C27H31ClN6O3S

7-Chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]-3-quinolinecarboxamide

  • Molecular FormulaC27H31ClN6O3S
  • Average mass555.091 Da
  • Monoisotopic mass554.186707 Da
  • ChemSpider ID24653700

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Quinolinecarboxamide, 7-chloro-N-[(1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]- [ACD/Index Name]
7-Chlor-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]-3-chinolincarboxamid [German] [ACD/IUPAC Name]
7-Chloro-N-[(1S,2R,4S)-4-(diméthylcarbamoyl)-2-{[(5-méthyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
7-Chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]-3-quinolinecarboxamide [ACD/IUPAC Name]
7-Chloro-N-{(1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-{[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl}quinoline-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 33.75
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 52.38
ACD/KOC (pH 7.4): 555.40
Polar Surface Area: 136 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

Click to predict properties on the Chemicalize site


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