ChemSpider 2D Image | Benzyl {(1S,3R)-3-[(methyl{[6-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}sulfamoyl)methyl]cyclopentyl}carbamate | C23H30F3N5O4S

Benzyl {(1S,3R)-3-[(methyl{[6-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}sulfamoyl)methyl]cyclopentyl}carbamate

  • Molecular FormulaC23H30F3N5O4S
  • Average mass529.576 Da
  • Monoisotopic mass529.197083 Da
  • ChemSpider ID84423162

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

{(1S,3R)-3-[(Méthyl{[6-(trifluorométhyl)-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]méthyl}sulfamoyl)méthyl]cyclopentyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(1S,3R)-3-[(methyl{[6-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}sulfamoyl)methyl]cyclopentyl}carbamate [ACD/IUPAC Name]
Benzyl-{(1S,3R)-3-[(methyl{[6-(trifluormethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}sulfamoyl)methyl]cyclopentyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,3R)-3-[[[methyl[[5,6,7,8-tetrahydro-6-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]methyl]amino]sulfonyl]methyl]cyclopentyl]-, phenylmethyl ester [ACD/Index Name]

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: 1.623
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.05
ACD/KOC (pH 5.5): 1465.95
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.19
ACD/KOC (pH 7.4): 1467.05
Polar Surface Area: 115 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 361.3±7.0 cm3

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