ChemSpider 2D Image | N-((1R,2S,5S)-2-(5-chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide | C26H31ClN6O3S

N-((1R,2S,5S)-2-(5-chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide

  • Molecular FormulaC26H31ClN6O3S
  • Average mass543.081 Da
  • Monoisotopic mass542.186707 Da
  • ChemSpider ID7984105

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-((1R,2S,5S)-2-(5-chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
N-[(1R,2S,5S)-2-{[(5-Chlor-1H-indol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-carboxamid [German] [ACD/IUPAC Name]
N-[(1R,2S,5S)-2-{[(5-Chloro-1H-indol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide [ACD/IUPAC Name]
N-[(1R,2S,5S)-2-{[(5-Chloro-1H-indol-2-yl)carbonyl]amino}-5-(diméthylcarbamoyl)cyclohexyl]-5-méthyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide [French] [ACD/IUPAC Name]
Thiazolo[5,4-c]pyridine-2-carboxamide, N-[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]amino]-5-[(dimethylamino)carbonyl]cyclohexyl]-4,5,6,7-tetrahydro-5-methyl- [ACD/Index Name]
dT8
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479863/
N-[(1R,2S,5S)-2-{[(5-Chloroindol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-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: 1.679
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 8.66
ACD/KOC (pH 5.5): 79.08
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 96.23
ACD/KOC (pH 7.4): 878.54
Polar Surface Area: 139 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 382.6±5.0 cm3

Click to predict properties on the Chemicalize site


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