ChemSpider 2D Image | N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide | C29H39ClN4O4S

N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide

  • Molecular FormulaC29H39ClN4O4S
  • Average mass575.162 Da
  • Monoisotopic mass574.238037 Da
  • ChemSpider ID25051756

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, 3-cyclohexyl-N-[(phenylmethyl)sulfonyl]-D-alanyl-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]- [ACD/Index Name]
N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorbenzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminométhyl)-5-chlorobenzyl]-L-prolinamide [French] [ACD/IUPAC Name]
S04

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: 1.603
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.18
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 15.22
ACD/KOC (pH 7.4): 99.43
Polar Surface Area: 130 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 450.2±3.0 cm3

Click to predict properties on the Chemicalize site


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