Found 174 results

Search term: MF = 'C_{22}H_{19}BrN_{2}OS'
ChemSpider 2D Image | 4-(5-Bromo-2-thienyl)-1-(2,4-dimethylbenzyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one | C22H19BrN2OS

4-(5-Bromo-2-thienyl)-1-(2,4-dimethylbenzyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

  • Molecular FormulaC22H19BrN2OS
  • Average mass439.368 Da
  • Monoisotopic mass438.040131 Da
  • ChemSpider ID29031125

More details:

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

2H-1,5-Benzodiazepin-2-one, 4-(5-bromo-2-thienyl)-1-[(2,4-dimethylphenyl)methyl]-1,3-dihydro- [ACD/Index Name]
4-(5-Brom-2-thienyl)-1-(2,4-dimethylbenzyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-on [German] [ACD/IUPAC Name]
4-(5-Bromo-2-thienyl)-1-(2,4-dimethylbenzyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one [ACD/IUPAC Name]
4-(5-Bromo-2-thiényl)-1-(2,4-diméthylbenzyl)-1,3-dihydro-2H-1,5-benzodiazépin-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5305.59
ACD/KOC (pH 5.5): 16129.58
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5311.26
ACD/KOC (pH 7.4): 16146.84
Polar Surface Area: 61 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 310.7±7.0 cm3

Click to predict properties on the Chemicalize site


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