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Search term: JCCSMISMYHLJMU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-({[4-Oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl]imino}methyl)phenyl 2,4-dichlorobenzoate | C31H23Cl2N3O6

2-({[4-Oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl]imino}methyl)phenyl 2,4-dichlorobenzoate

  • Molecular FormulaC31H23Cl2N3O6
  • Average mass604.437 Da
  • Monoisotopic mass603.096375 Da
  • ChemSpider ID79643034

More details:

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

2-({[4-Oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-chinazolinyl]imino}methyl)phenyl-2,4-dichlorbenzoat [German] [ACD/IUPAC Name]
2-({[4-Oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl]imino}methyl)phenyl 2,4-dichlorobenzoate [ACD/IUPAC Name]
2,4-Dichlorobenzoate de 2-({[4-oxo-2-(3,4,5-triméthoxyphényl)-3(4H)-quinazolinyl]imino}méthyl)phényle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dichloro-, 2-[[[4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl]imino]methyl]phenyl ester [ACD/Index 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: 784.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 427.9±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 158.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15481.54
ACD/KOC (pH 5.5): 34726.14
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15481.54
ACD/KOC (pH 7.4): 34726.14
Polar Surface Area: 99 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 444.9±7.0 cm3

Click to predict properties on the Chemicalize site


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