ChemSpider 2D Image | 5-{4-[(4-Chlorophenyl)(phenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-5-oxo-N-(3,4,5-trimethoxybenzyl)pentanamide | C34H42ClN3O5

5-{4-[(4-Chlorophenyl)(phenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-5-oxo-N-(3,4,5-trimethoxybenzyl)pentanamide

  • Molecular FormulaC34H42ClN3O5
  • Average mass608.167 Da
  • Monoisotopic mass607.281311 Da
  • ChemSpider ID24644611

More details:

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

1H-1,4-Diazepine-1-pentanamide, 4-[(4-chlorophenyl)phenylmethyl]hexahydro-β-methyl-δ-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
5-{4-[(4-Chlorophenyl)(phenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-5-oxo-N-(3,4,5-trimethoxybenzyl)pentanamide [ACD/IUPAC Name]
5-{4-[(4-Chlorophényl)(phényl)méthyl]-1,4-diazépan-1-yl}-3-méthyl-5-oxo-N-(3,4,5-triméthoxybenzyl)pentanamide [French] [ACD/IUPAC Name]
5-{4-[(4-Chlorphenyl)(phenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-5-oxo-N-(3,4,5-trimethoxybenzyl)pentanamid [German] [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: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 897.34
ACD/KOC (pH 5.5): 3331.36
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2567.04
ACD/KOC (pH 7.4): 9530.15
Polar Surface Area: 80 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 513.2±3.0 cm3

Click to predict properties on the Chemicalize site


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