ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate | C35H47N3O4S

2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID16550446

More details:

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

(1-{[1-(4-Éthylphényl)-2-(2-naphtylamino)-2-oxoéthyl](5-méthyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(1,4-dimethylpentyl)[1-(4-ethylphenyl)-2-(2-naphthalenylamino)-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.6±35.7 °C
Index of Refraction: 1.574
Molar Refractivity: 176.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 145566.08
ACD/KOC (pH 5.5): 143256.58
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 80106.18
ACD/KOC (pH 7.4): 78835.24
Polar Surface Area: 134 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 535.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement