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ChemSpider 2D Image | N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[6-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide | C34H39N3O6S

N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[6-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID22490675

More details:






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

1,3-Dioxolo[4,5-g]quinazoline-7(8H)-butanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-8-oxo- [ACD/Index Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[6-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]chinazolin-7(8H)-yl]butanamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[6-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide [ACD/IUPAC Name]
N-[2-(3,4-Diméthoxyphényl)éthyl]-4-[6-{[4-(2-méthyl-2-propanyl)benzyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide [French] [ACD/IUPAC Name]
4-[6-[(4-tert-butylbenzyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

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: 1.612
Molar Refractivity: 171.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6192.29
ACD/KOC (pH 5.5): 18021.83
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6192.30
ACD/KOC (pH 7.4): 18021.85
Polar Surface Area: 124 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 492.5±7.0 cm3

Click to predict properties on the Chemicalize site






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