ChemSpider 2D Image | 11-[4-(Benzyloxy)-2-fluorophenyl]-6-hydroxy-3,3-dimethyl-10-[(2-methyl-1,3-oxazol-4-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-[(2-methyl-1,3-oxazol-4-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 ID24713610

More details:

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

11-[4-(Benzyloxy)-2-fluorophenyl]-6-hydroxy-3,3-dimethyl-10-[(2-methyl-1,3-oxazol-4-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-[(2-méthyl-1,3-oxazol-4-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-[(2-methyl-1,3-oxazol-4-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-[(2-methyl-4-oxazolyl)carbonyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507210/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 388.6±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: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2615.95
ACD/KOC (pH 5.5): 9725.32
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2571.10
ACD/KOC (pH 7.4): 9558.59
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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