ChemSpider 2D Image | N-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-3-[(isopropylsulfonyl)amino]-1H-pyrazole-5-carboxamide | C35H47N5O6S

N-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-3-[(isopropylsulfonyl)amino]-1H-pyrazole-5-carboxamide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID9760323

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Pyrazole-1-acetamide, 3-[[(1-methylethyl)sulfonyl]amino]-N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]- [ACD/Index Name]
N-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-3-[(isopropylsulfonyl)amino]-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-3-[(isopropylsulfonyl)amino]-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoéthyl)-3-[(isopropylsulfonyl)amino]-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 181.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1400.24
ACD/KOC (pH 5.5): 6181.97
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 546.60
ACD/KOC (pH 7.4): 2413.19
Polar Surface Area: 149 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 507.9±7.0 cm3

Click to predict properties on the Chemicalize site


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