ChemSpider 2D Image | 4-[6-{[2-(Butylamino)-2-oxoethyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)butanamide | C27H32N4O6S

4-[6-{[2-(Butylamino)-2-oxoethyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)butanamide

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID13162431

More details:

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

1,3-Dioxolo[4,5-g]quinazoline-7(8H)-butanamide, 6-[[2-(butylamino)-2-oxoethyl]thio]-N-[(4-methoxyphenyl)methyl]-8-oxo- [ACD/Index Name]
4-[6-{[2-(Butylamino)-2-oxoethyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]chinazolin-7(8H)-yl]-N-(4-methoxybenzyl)butanamid [German] [ACD/IUPAC Name]
4-[6-{[2-(Butylamino)-2-oxoethyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)butanamide [ACD/IUPAC Name]
4-[6-{[2-(Butylamino)-2-oxoéthyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-méthoxybenzyl)butanamide [French] [ACD/IUPAC Name]
4-(6-((2-(butylamino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(4-methoxybenzyl)butanamide
4-(6-{[(butylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide
4-[6-{[2-(butylamino)-2-oxoethyl]thio}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)butanamide
688060-04-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.04
ACD/KOC (pH 5.5): 765.52
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.04
ACD/KOC (pH 7.4): 765.52
Polar Surface Area: 144 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 401.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement