ChemSpider 2D Image | 3-(3-Hydroxy-4-methoxybenzyl)-9-methoxy-N-(3-methylbutyl)-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxamide | C24H33N3O5

3-(3-Hydroxy-4-methoxybenzyl)-9-methoxy-N-(3-methylbutyl)-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

  • Molecular FormulaC24H33N3O5
  • Average mass443.536 Da
  • Monoisotopic mass443.242035 Da
  • ChemSpider ID22140396

More details:

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

3-(3-Hydroxy-4-methoxybenzyl)-9-methoxy-N-(3-methylbutyl)-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepin-10-carboxamid [German] [ACD/IUPAC Name]
3-(3-Hydroxy-4-methoxybenzyl)-9-methoxy-N-(3-methylbutyl)-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxamide [ACD/IUPAC Name]
3-(3-Hydroxy-4-méthoxybenzyl)-9-méthoxy-N-(3-méthylbutyl)-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, 1,2,3,4,5,7-hexahydro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-9-methoxy-N-(3-methylbutyl)-7-oxo- [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: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 353.4±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 48.48
Polar Surface Area: 91 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 355.8±5.0 cm3

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