ChemSpider 2D Image | N-(4-Methoxybenzyl)-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide | C31H32N4O6S

N-(4-Methoxybenzyl)-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide

  • Molecular FormulaC31H32N4O6S
  • Average mass588.674 Da
  • Monoisotopic mass588.204285 Da
  • ChemSpider ID22490645

More details:

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

1,3-Dioxolo[4,5-g]quinazoline-7(8H)-butanamide, N-[(4-methoxyphenyl)methyl]-8-oxo-6-[[2-oxo-2-[(2-phenylethyl)amino]ethyl]thio]- [ACD/Index Name]
N-(4-Methoxybenzyl)-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)[1,3]dioxolo[4,5-g]chinazolin-7(8H)-yl]butanamid [German] [ACD/IUPAC Name]
N-(4-Methoxybenzyl)-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide [ACD/IUPAC Name]
N-(4-Méthoxybenzyl)-4-[8-oxo-6-({2-oxo-2-[(2-phényléthyl)amino]éthyl}sulfanyl)[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide [French] [ACD/IUPAC Name]
688060-12-0 [RN]
N-(4-methoxybenzyl)-4-(8-oxo-6-((2-oxo-2-(phenethylamino)ethyl)thio)-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide
N-(4-methoxybenzyl)-4-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}thio)[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[(4-methoxyphenyl)methyl]-4-[8-oxo-6-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]butanamide

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: 1.652
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 392.64
ACD/KOC (pH 5.5): 2502.55
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 392.64
ACD/KOC (pH 7.4): 2502.55
Polar Surface Area: 144 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 438.0±7.0 cm3

Click to predict properties on the Chemicalize site


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