ChemSpider 2D Image | N~2~-[(3-Chloro-4-methoxyphenyl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide | C32H34Cl2N6O6S

N2-[(3-Chloro-4-methoxyphenyl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide

  • Molecular FormulaC32H34Cl2N6O6S
  • Average mass701.620 Da
  • Monoisotopic mass700.163757 Da
  • ChemSpider ID35034346

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2s)-N-[[2-(Aminomethyl)-5-Chloranyl-Phenyl]methyl]-1-[(2s)-2-[(3-Chloranyl-4-Methoxy-Phenyl)sulfonylamino]-4-[(4-Cyanophenyl)methylamino]-4-Oxidanylidene-Butanoyl]pyrrolidine-2-Carboxamide
L-Prolinamide, N2-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-[(4-cyanophenyl)methyl]-L-asparaginyl-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]- [ACD/Index Name]
N2-[(3-Chlor-4-methoxyphenyl)sulfonyl]-N-(4-cyanbenzyl)-L-asparaginyl-N-[2-(aminomethyl)-5-chlorbenzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N2-[(3-Chloro-4-methoxyphenyl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide [ACD/IUPAC Name]
N2-[(3-Chloro-4-méthoxyphényl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-[2-(aminométhyl)-5-chlorobenzyl]-L-prolinamide [French] [ACD/IUPAC Name]
S33

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: 1.663
Molar Refractivity: 177.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 47.14
Polar Surface Area: 192 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 480.0±5.0 cm3

Click to predict properties on the Chemicalize site


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