ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-4-{[6-{[1-(4-morpholinyl)-1-oxo-2-butanyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide | C33H32N4O8S

N-(1,3-Benzodioxol-5-ylmethyl)-4-{[6-{[1-(4-morpholinyl)-1-oxo-2-butanyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide

  • Molecular FormulaC33H32N4O8S
  • Average mass644.694 Da
  • Monoisotopic mass644.194092 Da
  • ChemSpider ID22490795

More details:

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

Benzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-[[1-(4-morpholinylcarbonyl)propyl]thio]-8-oxo-1,3-dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-4-{[6-{[1-(4-morpholinyl)-1-oxo-2-butanyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]chinazolin-7(8H)-yl]methyl}benzamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-4-{[6-{[1-(4-morpholinyl)-1-oxo-2-butanyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-4-{[6-{[1-(4-morpholinyl)-1-oxo-2-butanyl]sulfanyl}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]méthyl}benzamide [French] [ACD/IUPAC Name]
688061-89-4 [RN]
N-(1,3-benzodioxol-5-ylmethyl)-4-{[6-{[1-(morpholin-4-ylcarbonyl)propyl]thio}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-((6-((1-morpholino-1-oxobutan-2-yl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 167.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.99
ACD/KOC (pH 5.5): 1159.24
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.99
ACD/KOC (pH 7.4): 1159.24
Polar Surface Area: 154 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 431.9±7.0 cm3

Click to predict properties on the Chemicalize site


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