ChemSpider 2D Image | 11-[4-(Benzyloxy)-2-fluorophenyl]-6-hydroxy-3,3-dimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C33H30FN3O5

11-[4-(Benzyloxy)-2-fluorophenyl]-6-hydroxy-3,3-dimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC33H30FN3O5
  • Average mass567.607 Da
  • Monoisotopic mass567.216919 Da
  • ChemSpider ID24710888

More details:

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

11-[4-(Benzyloxy)-2-fluorophenyl]-6-hydroxy-3,3-dimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
11-[4-(Benzyloxy)-2-fluorophényl]-6-hydroxy-3,3-diméthyl-10-[(5-méthyl-1,2-oxazol-3-yl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
11-[4-(Benzyloxy)-2-fluorphenyl]-6-hydroxy-3,3-dimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 11-[2-fluoro-4-(phenylmethoxy)phenyl]-2,3,4,5,10,11-hexahydro-6-hydroxy-3,3-dimethyl-10-[(5-methyl-3-isoxazolyl)carbonyl]- [ACD/Index 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: 743.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 403.4±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 153.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6091.49
ACD/KOC (pH 5.5): 17810.19
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5995.72
ACD/KOC (pH 7.4): 17530.18
Polar Surface Area: 105 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 408.1±5.0 cm3

Click to predict properties on the Chemicalize site


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