ChemSpider 2D Image | N-Cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide | C31H31N3O2S

N-Cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide

  • Molecular FormulaC31H31N3O2S
  • Average mass509.662 Da
  • Monoisotopic mass509.213684 Da
  • ChemSpider ID23010672

More details:

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

7-Quinazolinecarboxamide, N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[[(4-ethenylphenyl)methyl]thio]-3,4-dihydro-4-oxo- [ACD/Index Name]
N-Cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-chinazolincarboxamid [German] [ACD/IUPAC Name]
N-Cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide [ACD/IUPAC Name]
N-Cyclopentyl-3-(3,5-diméthylphényl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide [French] [ACD/IUPAC Name]
1115396-89-8 [RN]
N-cyclopentyl-3-(3,5-dimethylphenyl)-2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-2-((4-vinylbenzyl)thio)-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-2-[(4-vinylbenzyl)thio]-3,4-dihydroquinazoline-7-carboxamide

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: 1.652
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26598.09
ACD/KOC (pH 5.5): 51155.56
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26598.09
ACD/KOC (pH 7.4): 51155.56
Polar Surface Area: 87 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 415.1±7.0 cm3

Click to predict properties on the Chemicalize site


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