ChemSpider 2D Image | (11S)-11-Methyl-5-[(4-methylphenyl)sulfonyl]-6,11-dihydro-5H-dibenzo[b,e]azepin-11-ol | C22H21NO3S

(11S)-11-Methyl-5-[(4-methylphenyl)sulfonyl]-6,11-dihydro-5H-dibenzo[b,e]azepin-11-ol

  • Molecular FormulaC22H21NO3S
  • Average mass379.472 Da
  • Monoisotopic mass379.124207 Da
  • ChemSpider ID30651886

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11S)-11-Methyl-5-[(4-methylphenyl)sulfonyl]-6,11-dihydro-5H-dibenzo[b,e]azepin-11-ol [German] [ACD/IUPAC Name]
(11S)-11-Methyl-5-[(4-methylphenyl)sulfonyl]-6,11-dihydro-5H-dibenzo[b,e]azepin-11-ol [ACD/IUPAC Name]
(11S)-11-Méthyl-5-[(4-méthylphényl)sulfonyl]-6,11-dihydro-5H-dibenzo[b,e]azépin-11-ol [French] [ACD/IUPAC Name]
5H-Dibenz[b,e]azepin-11-ol, 6,11-dihydro-11-methyl-5-[(4-methylphenyl)sulfonyl]-, (11S)- [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: 559.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.3±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.36
ACD/KOC (pH 5.5): 2177.90
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.36
ACD/KOC (pH 7.4): 2177.90
Polar Surface Area: 66 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 293.8±3.0 cm3

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