ChemSpider 2D Image | 2-(3-Benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(4-bromophenyl)acetamide | C26H21BrN4O2

2-(3-Benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(4-bromophenyl)acetamide

  • Molecular FormulaC26H21BrN4O2
  • Average mass501.375 Da
  • Monoisotopic mass500.084778 Da
  • ChemSpider ID29028985

More details:

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

2-(3-Benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(4-bromophenyl)acetamide [ACD/IUPAC Name]
2-(3-Benzyl-8-méthyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(4-bromophényl)acétamide [French] [ACD/IUPAC Name]
2-(3-Benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(4-bromphenyl)acetamid [German] [ACD/IUPAC Name]
5H-Pyrimido[5,4-b]indole-5-acetamide, N-(4-bromophenyl)-3,4-dihydro-8-methyl-4-oxo-3-(phenylmethyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 132.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3898.49
ACD/KOC (pH 5.5): 12940.49
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3898.70
ACD/KOC (pH 7.4): 12941.18
Polar Surface Area: 67 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 345.4±7.0 cm3

Click to predict properties on the Chemicalize site


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