ChemSpider 2D Image | N-({1-[3-Amino-4-(3-chlorophenyl)butanoyl]-2-pyrrolidinyl}methyl)-3-(methylsulfonyl)benzamide | C23H28ClN3O4S

N-({1-[3-Amino-4-(3-chlorophenyl)butanoyl]-2-pyrrolidinyl}methyl)-3-(methylsulfonyl)benzamide

  • Molecular FormulaC23H28ClN3O4S
  • Average mass478.004 Da
  • Monoisotopic mass477.148895 Da
  • ChemSpider ID24629791
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Benzamide, N-[[1-[3-amino-4-(3-chlorophenyl)-1-oxobutyl]-2-pyrrolidinyl]methyl]-3-(methylsulfonyl)- [ACD/Index Name]
N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
N-({1-[3-Amino-4-(3-chlorophenyl)butanoyl]-2-pyrrolidinyl}methyl)-3-(methylsulfonyl)benzamide [ACD/IUPAC Name]
N-({1-[3-Amino-4-(3-chlorophényl)butanoyl]-2-pyrrolidinyl}méthyl)-3-(méthylsulfonyl)benzamide [French] [ACD/IUPAC Name]
N-({1-[3-Amino-4-(3-chlorphenyl)butanoyl]-2-pyrrolidinyl}methyl)-3-(methylsulfonyl)benzamid [German] [ACD/IUPAC Name]
N-{[(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl]methyl}-3-methanesulfonylbenzamide
PS4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.2±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 51.52
Polar Surface Area: 118 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 368.3±3.0 cm3

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