ChemSpider 2D Image | 4-[3-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-2-{[3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxopropyl]phenyl acetate | C41H37N5O6

4-[3-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-2-{[3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxopropyl]phenyl acetate

  • Molecular FormulaC41H37N5O6
  • Average mass695.762 Da
  • Monoisotopic mass695.274414 Da
  • ChemSpider ID121080251

More details:

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

4-[3-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-2-{[3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[3-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-2-{[3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[3-({1-[5-(3-méthylphényl)-1,3,4-oxadiazol-2-yl]éthyl}amino)-2-{[3-(1H-naphto[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino}-3-oxopropyl]phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-α-[[3-(1H-naphth[1,2-e][1,3]oxazin-2(3H)-yl)benzoyl]amino]- [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: 195.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3151.03
ACD/KOC (pH 5.5): 11111.80
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3151.06
ACD/KOC (pH 7.4): 11111.91
Polar Surface Area: 136 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 539.9±3.0 cm3

Click to predict properties on the Chemicalize site


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