ChemSpider 2D Image | 3-(3,5-Dimethylphenyl)-2-{[1-(3,4-dimethylphenyl)-1-oxo-2-propanyl]sulfanyl}-N-isobutyl-4-oxo-3,4-dihydro-7-quinazolinecarboxamide | C32H35N3O3S

3-(3,5-Dimethylphenyl)-2-{[1-(3,4-dimethylphenyl)-1-oxo-2-propanyl]sulfanyl}-N-isobutyl-4-oxo-3,4-dihydro-7-quinazolinecarboxamide

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID27441627

More details:

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

3-(3,5-Dimethylphenyl)-2-{[1-(3,4-dimethylphenyl)-1-oxo-2-propanyl]sulfanyl}-N-isobutyl-4-oxo-3,4-dihydro-7-chinazolincarboxamid [German] [ACD/IUPAC Name]
3-(3,5-Dimethylphenyl)-2-{[1-(3,4-dimethylphenyl)-1-oxo-2-propanyl]sulfanyl}-N-isobutyl-4-oxo-3,4-dihydro-7-quinazolinecarboxamide [ACD/IUPAC Name]
3-(3,5-Diméthylphényl)-2-{[1-(3,4-diméthylphényl)-1-oxo-2-propanyl]sulfanyl}-N-isobutyl-4-oxo-3,4-dihydro-7-quinazolinecarboxamide [French] [ACD/IUPAC Name]
7-Quinazolinecarboxamide, 3-(3,5-dimethylphenyl)-2-[[2-(3,4-dimethylphenyl)-1-methyl-2-oxoethyl]thio]-3,4-dihydro-N-(2-methylpropyl)-4-oxo- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13595.66
ACD/KOC (pH 5.5): 31642.89
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13595.66
ACD/KOC (pH 7.4): 31642.89
Polar Surface Area: 104 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 453.4±7.0 cm3

Click to predict properties on the Chemicalize site


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