ChemSpider 2D Image | N-Cyclohexyl-Nalpha-(3-methoxybenzyl)-Nalpha-{[(4-methoxybenzyl)sulfanyl]acetyl}phenylalaninamide | C33H40N2O4S

N-Cyclohexyl-Nα-(3-methoxybenzyl)-Nα-{[(4-methoxybenzyl)sulfanyl]acetyl}phenylalaninamide

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID80882584

More details:

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

Benzenepropanamide, N-cyclohexyl-α-[[(3-methoxyphenyl)methyl][2-[[(4-methoxyphenyl)methyl]thio]acetyl]amino]- [ACD/Index Name]
N-Cyclohexyl-Nα-(3-methoxybenzyl)-Nα-{[(4-methoxybenzyl)sulfanyl]acetyl}phenylalaninamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-Nα-(3-methoxybenzyl)-Nα-{[(4-methoxybenzyl)sulfanyl]acetyl}phenylalaninamide [ACD/IUPAC Name]
N-Cyclohexyl-Nα-(3-méthoxybenzyl)-Nα-{2-[(4-méthoxybenzyl)sulfanyl]acétyl}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: 767.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33562.34
ACD/KOC (pH 5.5): 60421.15
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33562.34
ACD/KOC (pH 7.4): 60421.15
Polar Surface Area: 93 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 467.6±5.0 cm3

Click to predict properties on the Chemicalize site


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