Found 252 results

Search term: MF = 'C_{25}H_{19}Cl_{2}N_{3}O'
ChemSpider 2D Image | 3-(2-Chlorobenzyl)-5-(3-chlorobenzyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | C25H19Cl2N3O

3-(2-Chlorobenzyl)-5-(3-chlorobenzyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

  • Molecular FormulaC25H19Cl2N3O
  • Average mass448.344 Da
  • Monoisotopic mass447.090515 Da
  • ChemSpider ID29030609

More details:

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

3-(2-Chlorbenzyl)-5-(3-chlorbenzyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-on [German] [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5-(3-chlorobenzyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5-(3-chlorobenzyl)-8-méthyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[5,4-b]indol-4-one, 3-[(2-chlorophenyl)methyl]-5-[(3-chlorophenyl)methyl]-3,5-dihydro-8-methyl- [ACD/Index Name]
1189965-24-9 [RN]
3-(2-chlorobenzyl)-5-(3-chlorobenzyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
3-[(2-chlorophenyl)methyl]-5-[(3-chlorophenyl)methyl]-8-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one
3-[(2-chlorophenyl)methyl]-5-[(3-chlorophenyl)methyl]-8-methylpyrimido[5,4-b]indol-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54350.17
ACD/KOC (pH 5.5): 85317.46
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54350.46
ACD/KOC (pH 7.4): 85317.92
Polar Surface Area: 38 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

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