ChemSpider 2D Image | N-(Benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide | C25H33ClN4O4S

N-(Benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide

  • Molecular FormulaC25H33ClN4O4S
  • Average mass521.072 Da
  • Monoisotopic mass520.191101 Da
  • ChemSpider ID28669200
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Prolinamide, N-[(phenylmethyl)sulfonyl]-D-valyl-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]- [ACD/Index Name]
N-(Benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorbenzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-valyl-N-[2-(aminométhyl)-5-chlorobenzyl]-L-prolinamide [French] [ACD/IUPAC Name]
M41

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.55
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 23.64
Polar Surface Area: 130 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 401.1±3.0 cm3

Click to predict properties on the Chemicalize site






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