ChemSpider 2D Image | (11R)-3,3-Dimethyl-11-[5-(2-nitrophenyl)-2-furyl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C33H29N3O5

(11R)-3,3-Dimethyl-11-[5-(2-nitrophenyl)-2-furyl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC33H29N3O5
  • Average mass547.601 Da
  • Monoisotopic mass547.210693 Da
  • ChemSpider ID7817625

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11R)-3,3-Diméthyl-11-[5-(2-nitrophényl)-2-furyl]-10-(2-phénylacétyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
(11R)-3,3-Dimethyl-11-[5-(2-nitrophenyl)-2-furyl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
(11R)-3,3-Dimethyl-11-[5-(2-nitrophenyl)-2-furyl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3-dimethyl-11-[5-(2-nitrophenyl)-2-furanyl]-10-(2-phenylacetyl)-, (11R)- [ACD/Index Name]

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

ZINC08432048 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 153.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21386.59
ACD/KOC (pH 5.5): 43761.51
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21388.09
ACD/KOC (pH 7.4): 43764.59
Polar Surface Area: 108 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

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