ChemSpider 2D Image | Benzyl {(2S)-1-[{4-[(5-amino-5-oxopentyl)oxy]-2-methoxybenzyl}(4-methoxyphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamate | C33H41N3O7

Benzyl {(2S)-1-[{4-[(5-amino-5-oxopentyl)oxy]-2-methoxybenzyl}(4-methoxyphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID9831961

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(2S)-1-[{4-[(5-Amino-5-oxopentyl)oxy]-2-méthoxybenzyl}(4-méthoxyphényl)amino]-3-méthyl-1-oxo-2-butanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(2S)-1-[{4-[(5-amino-5-oxopentyl)oxy]-2-methoxybenzyl}(4-methoxyphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Benzyl-{(2S)-1-[{4-[(5-amino-5-oxopentyl)oxy]-2-methoxybenzyl}(4-methoxyphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[[[4-[(5-amino-5-oxopentyl)oxy]-2-methoxyphenyl]methyl](4-methoxyphenyl)amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester [ACD/Index 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: 797.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.1±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 164.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1111.88
ACD/KOC (pH 5.5): 5271.86
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1111.45
ACD/KOC (pH 7.4): 5269.83
Polar Surface Area: 129 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 496.9±3.0 cm3

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