ChemSpider 2D Image | 8-[(2,4-Difluorophenyl)amino]-1-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one | C27H25F2NO4

8-[(2,4-Difluorophenyl)amino]-1-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one

  • Molecular FormulaC27H25F2NO4
  • Average mass465.488 Da
  • Monoisotopic mass465.175171 Da
  • ChemSpider ID28664417

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5H-Dibenzo[a,d]cyclohepten-5-one, 8-[(2,4-difluorophenyl)amino]-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-10,11-dihydro- [ACD/Index Name]
8-[(2,4-Difluorophenyl)amino]-1-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one [ACD/IUPAC Name]
8-[(2,4-Difluorophényl)amino]-1-{[(4S)-2,2-diméthyl-1,3-dioxolan-4-yl]méthoxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulén-5-one [French] [ACD/IUPAC Name]
8-[(2,4-Difluorphenyl)amino]-1-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-on [German] [ACD/IUPAC 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: 593.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.6±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11560.63
ACD/KOC (pH 5.5): 28175.46
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11560.63
ACD/KOC (pH 7.4): 28175.46
Polar Surface Area: 57 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 364.0±3.0 cm3

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