ChemSpider 2D Image | 3,4-Dichloro-N-(2-{(3R,5S)-1-(2,2-diphenylethyl)-2-oxo-3-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-yl}ethyl)benzamide | C35H42Cl2N4O2

3,4-Dichloro-N-(2-{(3R,5S)-1-(2,2-diphenylethyl)-2-oxo-3-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-yl}ethyl)benzamide

  • Molecular FormulaC35H42Cl2N4O2
  • Average mass621.640 Da
  • Monoisotopic mass620.268494 Da
  • ChemSpider ID76821751

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-Dichlor-N-(2-{(3R,5S)-1-(2,2-diphenylethyl)-2-oxo-3-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-yl}ethyl)benzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-(2-{(3R,5S)-1-(2,2-diphenylethyl)-2-oxo-3-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-yl}ethyl)benzamide [ACD/IUPAC Name]
3,4-Dichloro-N-(2-{(3R,5S)-1-(2,2-diphényléthyl)-2-oxo-3-[2-(1-pipéridinyl)éthyl]-1,4-diazépan-5-yl}éthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4-dichloro-N-[2-[(3R,5S)-1-(2,2-diphenylethyl)hexahydro-2-oxo-3-[2-(1-piperidinyl)ethyl]-1H-1,4-diazepin-5-yl]ethyl]- [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: 764.3±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: 416.1±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 174.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 3.45
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 74.85
ACD/KOC (pH 7.4): 157.63
Polar Surface Area: 65 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 527.2±3.0 cm3

Click to predict properties on the Chemicalize site


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