ChemSpider 2D Image | Butyl ({3-[4-({6-[(ethylcarbamoyl)amino]-4-oxo-2-propyl-3(4H)-quinazolinyl}methyl)phenyl]-5-propyl-2-thienyl}sulfonyl)carbamate | C33H41N5O6S2

Butyl ({3-[4-({6-[(ethylcarbamoyl)amino]-4-oxo-2-propyl-3(4H)-quinazolinyl}methyl)phenyl]-5-propyl-2-thienyl}sulfonyl)carbamate

  • Molecular FormulaC33H41N5O6S2
  • Average mass667.839 Da
  • Monoisotopic mass667.249817 Da
  • ChemSpider ID8007250

More details:






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

({3-[4-({6-[(Éthylcarbamoyl)amino]-4-oxo-2-propyl-3(4H)-quinazolinyl}méthyl)phényl]-5-propyl-2-thiényl}sulfonyl)carbamate de butyle [French] [ACD/IUPAC Name]
Butyl ({3-[4-({6-[(ethylcarbamoyl)amino]-4-oxo-2-propyl-3(4H)-quinazolinyl}methyl)phenyl]-5-propyl-2-thienyl}sulfonyl)carbamate [ACD/IUPAC Name]
Butyl-({3-[4-({6-[(ethylcarbamoyl)amino]-4-oxo-2-propyl-3(4H)-chinazolinyl}methyl)phenyl]-5-propyl-2-thienyl}sulfonyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[3-[4-[[6-[[(ethylamino)carbonyl]amino]-4-oxo-2-propyl-3(4H)-quinazolinyl]methyl]phenyl]-5-propyl-2-thienyl]sulfonyl]-, butyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 181.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 561.73
ACD/KOC (pH 5.5): 1566.74
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 78.55
ACD/KOC (pH 7.4): 219.10
Polar Surface Area: 183 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 507.8±7.0 cm3

Click to predict properties on the Chemicalize site






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