ChemSpider 2D Image | Methyl 2-({[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-4-oxo-1,4-dihydro-7-quinazolinecarboxylate | C27H22N4O5S

Methyl 2-({[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-4-oxo-1,4-dihydro-7-quinazolinecarboxylate

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID22390863

More details:

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

2-({[3-(4-Éthoxyphényl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}méthyl)-4-oxo-1,4-dihydro-7-quinazolinecarboxylate de méthyle [French] [ACD/IUPAC Name]
7-Quinazolinecarboxylic acid, 2-[[[3-(4-ethoxyphenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]methyl]-3,4-dihydro-4-oxo-, methyl ester [ACD/Index Name]
Methyl 2-({[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-4-oxo-1,4-dihydro-7-quinazolinecarboxylate [ACD/IUPAC Name]
Methyl-2-({[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro-2-chinazolinyl]sulfanyl}methyl)-4-oxo-1,4-dihydro-7-chinazolincarboxylat [German] [ACD/IUPAC Name]
METHYL 2-({[3-(4-ETHOXYPHENYL)-4-OXOQUINAZOLIN-2-YL]SULFANYL}METHYL)-4-OXO-3H-QUINAZOLINE-7-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.45
ACD/KOC (pH 5.5): 1118.34
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.65
ACD/KOC (pH 7.4): 1093.80
Polar Surface Area: 135 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 366.6±7.0 cm3

Click to predict properties on the Chemicalize site


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