ChemSpider 2D Image | N-Benzyl-2-{[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(2-methyl-2-propanyl)acetamide | C27H25Cl2N3O2S

N-Benzyl-2-{[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC27H25Cl2N3O2S
  • Average mass526.477 Da
  • Monoisotopic mass525.104431 Da
  • ChemSpider ID1801066

More details:

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

Acetamide, 2-[[3-(3,4-dichlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-N-(1,1-dimethylethyl)-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-{[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
N-Benzyl-2-{[3-(3,4-dichlorophényl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
N-Benzyl-2-{[3-(3,4-dichlorphenyl)-4-oxo-3,4-dihydro-2-chinazolinyl]sulfanyl}-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC 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: 688.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.1±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27507.84
ACD/KOC (pH 5.5): 52401.95
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27507.84
ACD/KOC (pH 7.4): 52401.95
Polar Surface Area: 78 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 409.4±7.0 cm3

Click to predict properties on the Chemicalize site


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