ChemSpider 2D Image | N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)(oxo)(~14~C)methyl]amino}cyclohexyl]ethanediamide | C2314CH30ClN7O4S

N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)(oxo)(14C)methyl]amino}cyclohexyl]ethanediamide

  • Molecular FormulaC2314CH30ClN7O4S
  • Average mass550.050 Da
  • Monoisotopic mass549.180115 Da
  • ChemSpider ID58994118
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

Ethanediamide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-[[oxo(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)methyl-14C]amino]cyclohexyl]- [ACD/Index Name]
N-(5-Chlor-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)(oxo)(14C)methyl]amino}cyclohexyl]ethandiamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)(oxo)(14C)methyl]amino}cyclohexyl]ethanediamide [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(diméthylcarbamoyl)-2-{[(5-méthyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)(oxo)(14C)méthyl]amino}cyclohexyl]éthanediamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

Click to predict properties on the Chemicalize site






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