Found 45 results

Search term: MF = 'C_{33}H_{26}N_{6}O_{2}'
ChemSpider 2D Image | 3-{[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | C33H26N6O2

3-{[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

  • Molecular FormulaC33H26N6O2
  • Average mass538.599 Da
  • Monoisotopic mass538.211731 Da
  • ChemSpider ID2830385

More details:

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

3-{[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyliden]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-on [German] [ACD/IUPAC Name]
3-{[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [ACD/IUPAC Name]
3-{[4-(3,5-Diphényl-4,5-dihydro-1H-pyrazol-1-yl)benzylidène]amino}-8-méthoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[5,4-b]indol-4-one, 3-[[[4-(4,5-dihydro-3,5-diphenyl-1H-pyrazol-1-yl)phenyl]methylene]amino]-3,5-dihydro-8-methoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.5±35.7 °C
Index of Refraction: 1.710
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5512.71
ACD/KOC (pH 5.5): 16582.93
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5512.72
ACD/KOC (pH 7.4): 16582.95
Polar Surface Area: 86 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

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