ChemSpider 2D Image | 3-(2,5-Dimethoxybenzyl)-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 | C26H33N5O5

3-(2,5-Dimethoxybenzyl)-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 FormulaC26H33N5O5
  • Average mass495.571 Da
  • Monoisotopic mass495.248169 Da
  • ChemSpider ID22109819

More details:

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

3-(2,5-Dimethoxybenzyl)-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-(2,5-Dimethoxybenzyl)-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-(2,5-Diméthoxybenzyl)-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-[(2,5-dimethoxyphenyl)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: 760.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 413.7±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.11
Polar Surface Area: 98 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 389.8±7.0 cm3

Click to predict properties on the Chemicalize site


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