ChemSpider 2D Image | N-(4-Methoxybenzyl)-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide | C27H32N4O7S

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

  • Molecular FormulaC27H32N4O7S
  • Average mass556.631 Da
  • Monoisotopic mass556.199158 Da
  • ChemSpider ID13162433

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]-6-[[2-[(3-methoxypropyl)amino]-2-oxoethyl]thio]-8-oxo- [ACD/Index Name]
N-(4-Methoxybenzyl)-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo[1,3]dioxolo[4,5-g]chinazolin-7(8H)-yl]butanamid [German] [ACD/IUPAC Name]
N-(4-Methoxybenzyl)-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide [ACD/IUPAC Name]
N-(4-Méthoxybenzyl)-4-[6-({2-[(3-méthoxypropyl)amino]-2-oxoéthyl}sulfanyl)-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide [French] [ACD/IUPAC Name]

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: 1.632
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.08
ACD/KOC (pH 5.5): 369.06
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.08
ACD/KOC (pH 7.4): 369.06
Polar Surface Area: 153 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 408.0±7.0 cm3

Click to predict properties on the Chemicalize site


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