ChemSpider 2D Image | 5-(2-Bromo-4,5-dimethoxybenzyl)-2-chloro-11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one | C24H22BrClN4O3

5-(2-Bromo-4,5-dimethoxybenzyl)-2-chloro-11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

  • Molecular FormulaC24H22BrClN4O3
  • Average mass529.813 Da
  • Monoisotopic mass528.056396 Da
  • ChemSpider ID21126054

More details:

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

5-(2-Brom-4,5-dimethoxybenzyl)-2-chlor-11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-on [German] [ACD/IUPAC Name]
5-(2-Bromo-4,5-dimethoxybenzyl)-2-chloro-11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one [ACD/IUPAC Name]
5-(2-Bromo-4,5-diméthoxybenzyl)-2-chloro-11-cyclopropyl-4-méthyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazépin-6-one [French] [ACD/IUPAC Name]
6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 5-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-chloro-11-cyclopropyl-5,11-dihydro-4-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 709.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 382.9±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 998.94
ACD/KOC (pH 5.5): 4880.89
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1000.31
ACD/KOC (pH 7.4): 4887.60
Polar Surface Area: 68 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 346.5±3.0 cm3

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