ChemSpider 2D Image | Nalpha-{[(2-Chlorobenzyl)sulfanyl]acetyl}-N-cyclopentyl-Nalpha-(3-methylbenzyl)phenylalaninamide | C31H35ClN2O2S

Nα-{[(2-Chlorobenzyl)sulfanyl]acetyl}-N-cyclopentyl-Nα-(3-methylbenzyl)phenylalaninamide

  • Molecular FormulaC31H35ClN2O2S
  • Average mass535.140 Da
  • Monoisotopic mass534.210754 Da
  • ChemSpider ID80872503

More details:

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

Benzenepropanamide, α-[[2-[[(2-chlorophenyl)methyl]thio]acetyl][(3-methylphenyl)methyl]amino]-N-cyclopentyl- [ACD/Index Name]
Nα-{[(2-Chlorbenzyl)sulfanyl]acetyl}-N-cyclopentyl-Nα-(3-methylbenzyl)phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[(2-Chlorobenzyl)sulfanyl]acetyl}-N-cyclopentyl-Nα-(3-methylbenzyl)phenylalaninamide [ACD/IUPAC Name]
Nα-{2-[(2-Chlorobenzyl)sulfanyl]acétyl}-N-cyclopentyl-Nα-(3-méthylbenzyl)phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 41998.36
ACD/KOC (pH 5.5): 70940.22
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 41998.36
ACD/KOC (pH 7.4): 70940.22
Polar Surface Area: 75 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 434.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement