ChemSpider 2D Image | 2-[3-(2-Chlorobenzyl)-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl]-N-(4-methylbenzyl)acetamide | C28H25ClN4O2

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

  • Molecular FormulaC28H25ClN4O2
  • Average mass484.977 Da
  • Monoisotopic mass484.166595 Da
  • ChemSpider ID29029073

More details:

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

2-[3-(2-Chlorbenzyl)-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl]-N-(4-methylbenzyl)acetamid [German] [ACD/IUPAC Name]
2-[3-(2-Chlorobenzyl)-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl]-N-(4-methylbenzyl)acetamide [ACD/IUPAC Name]
2-[3-(2-Chlorobenzyl)-8-méthyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl]-N-(4-méthylbenzyl)acétamide [French] [ACD/IUPAC Name]
5H-Pyrimido[5,4-b]indole-5-acetamide, 3-[(2-chlorophenyl)methyl]-3,4-dihydro-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo- [ACD/Index Name]
1216993-43-9 [RN]
2-(3-(2-chlorobenzyl)-8-methyl-4-oxo-3H-pyrimido[5,4-b]indol-5(4H)-yl)-N-(4-methylbenzyl)acetamide
2-[3-[(2-chlorophenyl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]-N-[(4-methylphenyl)methyl]acetamide
2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2412.66
ACD/KOC (pH 5.5): 9178.81
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2412.67
ACD/KOC (pH 7.4): 9178.84
Polar Surface Area: 67 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 373.4±7.0 cm3

Click to predict properties on the Chemicalize site


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