ChemSpider 2D Image | N-{[(3S,5S)-3-(3-Aminopropyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3,4-dimethylbenzamide | C32H40N4O2

N-{[(3S,5S)-3-(3-Aminopropyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3,4-dimethylbenzamide

  • Molecular FormulaC32H40N4O2
  • Average mass512.686 Da
  • Monoisotopic mass512.315125 Da
  • ChemSpider ID76824038

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[[(3S,5S)-3-(3-aminopropyl)-1-(2,2-diphenylethyl)hexahydro-2-oxo-1H-1,4-diazepin-5-yl]methyl]-3,4-dimethyl- [ACD/Index Name]
N-{[(3S,5S)-3-(3-Aminopropyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3,4-dimethylbenzamid [German] [ACD/IUPAC Name]
N-{[(3S,5S)-3-(3-Aminopropyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl}-3,4-dimethylbenzamide [ACD/IUPAC Name]
N-{[(3S,5S)-3-(3-Aminopropyl)-1-(2,2-diphényléthyl)-2-oxo-1,4-diazépan-5-yl]méthyl}-3,4-diméthylbenzamide [French] [ACD/IUPAC 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: 716.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 386.9±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 6.07
Polar Surface Area: 87 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 466.0±3.0 cm3

Click to predict properties on the Chemicalize site


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