ChemSpider 2D Image | RWJ-351647 | C32H28ClN3O3

RWJ-351647

  • Molecular FormulaC32H28ClN3O3
  • Average mass538.036 Da
  • Monoisotopic mass537.181946 Da
  • ChemSpider ID7983008
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[1,1'-Biphenyl]-2-carboxamide, N-[3-chloro-4-[[(12aS)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzodiazepin-11(6H)-yl]carbonyl]phenyl]- [ACD/Index Name]
N-{3-Chlor-4-[(12aS)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzodiazepin-11(6H)-ylcarbonyl]phenyl}-2-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(12aS)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzodiazepin-11(6H)-ylcarbonyl]phenyl}-2-biphenylcarboxamide [ACD/IUPAC Name]
N-{3-Chloro-4-[(12aS)-3,4,12,12a-tétrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzodiazépin-11(6H)-ylcarbonyl]phényl}-2-biphénylcarboxamide [French] [ACD/IUPAC Name]
RWJ-351647
CHEMBL543854
N-[4-[(4aS)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 566.38
ACD/KOC (pH 5.5): 1638.40
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5602.86
ACD/KOC (pH 7.4): 16207.65
Polar Surface Area: 62 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 390.9±5.0 cm3

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