ChemSpider 2D Image | 4-(2-{[3-(1H-Naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxo-3-{[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino}propyl)phenyl acetate | C41H37N5O6

4-(2-{[3-(1H-Naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxo-3-{[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino}propyl)phenyl acetate

  • Molecular FormulaC41H37N5O6
  • Average mass695.762 Da
  • Monoisotopic mass695.274414 Da
  • ChemSpider ID121079527

More details:

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

4-(2-{[3-(1H-Naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxo-3-{[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino}propyl)phenyl acetate [ACD/IUPAC Name]
4-(2-{[3-(1H-Naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxo-3-{[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino}propyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(2-{[3-(1H-naphto[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxo-3-{[3-(3-phényl-1,2,4-oxadiazol-5-yl)propyl]amino}propyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[[3-(1H-naphth[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino]-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]- [ACD/Index Name]

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: 1.643
Molar Refractivity: 195.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6679.86
ACD/KOC (pH 5.5): 19026.44
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6679.95
ACD/KOC (pH 7.4): 19026.71
Polar Surface Area: 136 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 539.4±3.0 cm3

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