ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-(4-pyridinylmethyl)-beta-alanyl-S-benzyl-N-[4-(dimethylamino)phenyl]cysteinamide | C32H41N5O4S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-(4-pyridinylmethyl)-β-alanyl-S-benzyl-N-[4-(dimethylamino)phenyl]cysteinamide

  • Molecular FormulaC32H41N5O4S
  • Average mass591.764 Da
  • Monoisotopic mass591.287903 Da
  • ChemSpider ID120865217

More details:

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

Cysteinamide, N-[(1,1-dimethylethoxy)carbonyl]-N-(4-pyridinylmethyl)-β-alanyl-N-[4-(dimethylamino)phenyl]-S-(phenylmethyl)- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-(4-pyridinylmethyl)-β-alanyl-S-benzyl-N-[4-(dimethylamino)phenyl]cysteinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-(4-pyridinylmethyl)-β-alanyl-S-benzyl-N-[4-(dimethylamino)phenyl]cysteinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-N-(4-pyridinylméthyl)-β-alanyl-S-benzyl-N-[4-(diméthylamino)phényl]cystéinamide [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: 824.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.6±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 836.12
ACD/KOC (pH 5.5): 2817.05
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3590.23
ACD/KOC (pH 7.4): 12096.11
Polar Surface Area: 129 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 487.8±3.0 cm3

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