ChemSpider 2D Image | N-(4-Methoxyphenyl)-4-{2-(1-piperidinylcarbonyl)-4-[(2-thienylcarbonyl)amino]phenyl}-1,4-diazepane-1-carboxamide | C30H35N5O4S

N-(4-Methoxyphenyl)-4-{2-(1-piperidinylcarbonyl)-4-[(2-thienylcarbonyl)amino]phenyl}-1,4-diazepane-1-carboxamide

  • Molecular FormulaC30H35N5O4S
  • Average mass561.695 Da
  • Monoisotopic mass561.240967 Da
  • ChemSpider ID22688787

More details:

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

1H-1,4-Diazepine-1-carboxamide, hexahydro-N-(4-methoxyphenyl)-4-[2-(1-piperidinylcarbonyl)-4-[(2-thienylcarbonyl)amino]phenyl]- [ACD/Index Name]
N-(4-Methoxyphenyl)-4-{2-(1-piperidinylcarbonyl)-4-[(2-thienylcarbonyl)amino]phenyl}-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-(4-Methoxyphenyl)-4-{2-(1-piperidinylcarbonyl)-4-[(2-thienylcarbonyl)amino]phenyl}-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-(4-Méthoxyphényl)-4-{2-(1-pipéridinylcarbonyl)-4-[(2-thiénylcarbonyl)amino]phényl}-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 757.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.8±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 50.81
ACD/KOC (pH 5.5): 459.99
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.48
ACD/KOC (pH 7.4): 1018.20
Polar Surface Area: 122 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

Click to predict properties on the Chemicalize site


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