ChemSpider 2D Image | (2S)-2-[(3S)-3-{[(6-Chloro-2-naphthyl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]-N-isopropyl-N-{2-[(methylsulfonyl)amino]ethyl}propanamide | C23H31ClN4O6S2

(2S)-2-[(3S)-3-{[(6-Chloro-2-naphthyl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]-N-isopropyl-N-{2-[(methylsulfonyl)amino]ethyl}propanamide

  • Molecular FormulaC23H31ClN4O6S2
  • Average mass559.098 Da
  • Monoisotopic mass558.137329 Da
  • ChemSpider ID7828177
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-[(3S)-3-{[(6-Chlor-2-naphthyl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]-N-isopropyl-N-{2-[(methylsulfonyl)amino]ethyl}propanamid [German] [ACD/IUPAC Name]
(2S)-2-[(3S)-3-{[(6-Chloro-2-naphthyl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]-N-isopropyl-N-{2-[(methylsulfonyl)amino]ethyl}propanamide [ACD/IUPAC Name]
(2S)-2-[(3S)-3-{[(6-Chloro-2-naphtyl)sulfonyl]amino}-2-oxo-1-pyrrolidinyl]-N-isopropyl-N-{2-[(méthylsulfonyl)amino]éthyl}propanamide [French] [ACD/IUPAC Name]
(αs,3S)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-α-methyl-N-(1-methylethyl)-N-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-1-pyrrolidineacetamide
1-Pyrrolidineacetamide, 3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-α-methyl-N-(1-methylethyl)-N-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-, (αS,3S)- [ACD/Index Name]
GSJ
P4 alanylamide pyrrolidin-2-one 39

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 423.0±35.7 °C
Index of Refraction: 1.639
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.76
ACD/KOC (pH 5.5): 215.35
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.67
ACD/KOC (pH 7.4): 213.81
Polar Surface Area: 150 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 389.5±5.0 cm3

Click to predict properties on the Chemicalize site






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