ChemSpider 2D Image | 4-Methoxy-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(1-piperidinylcarbonyl)phenyl}benzamide | C35H42N4O4

4-Methoxy-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(1-piperidinylcarbonyl)phenyl}benzamide

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID22687285

More details:

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

4-Methoxy-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(1-piperidinylcarbonyl)phenyl}benzamid [German] [ACD/IUPAC Name]
4-Methoxy-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(1-piperidinylcarbonyl)phenyl}benzamide [ACD/IUPAC Name]
4-Méthoxy-N-{4-[4-(2-phénylbutanoyl)-1,4-diazépan-1-yl]-3-(1-pipéridinylcarbonyl)phényl}benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[4-[hexahydro-4-(1-oxo-2-phenylbutyl)-1H-1,4-diazepin-1-yl]-3-(1-piperidinylcarbonyl)phenyl]-4-methoxy- [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: 738.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.5±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 575.93
ACD/KOC (pH 5.5): 3176.92
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 651.73
ACD/KOC (pH 7.4): 3595.04
Polar Surface Area: 82 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 484.2±3.0 cm3

Click to predict properties on the Chemicalize site


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