ChemSpider 2D Image | 3-(4-Chlorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]-9-methoxy-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxamide | C24H28ClN5O3

3-(4-Chlorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]-9-methoxy-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

  • Molecular FormulaC24H28ClN5O3
  • Average mass469.964 Da
  • Monoisotopic mass469.188080 Da
  • ChemSpider ID22154425

More details:

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

3-(4-Chlorbenzyl)-N-[3-(1H-imidazol-1-yl)propyl]-9-methoxy-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepin-10-carboxamid [German] [ACD/IUPAC Name]
3-(4-Chlorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]-9-methoxy-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxamide [ACD/IUPAC Name]
3-(4-Chlorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]-9-méthoxy-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazépine-10-carboxamide [French] [ACD/IUPAC Name]
Pyrido[1,2-d][1,4]diazepine-10-carboxamide, 3-[(4-chlorophenyl)methyl]-1,2,3,4,5,7-hexahydro-N-[3-(1H-imidazol-1-yl)propyl]-9-methoxy-7-oxo- [ACD/Index 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: 736.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.39
ACD/KOC (pH 7.4): 57.68
Polar Surface Area: 80 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 355.8±7.0 cm3

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