ChemSpider 2D Image | Siponimod | C29H35F3N2O3

Siponimod

  • Molecular FormulaC29H35F3N2O3
  • Average mass516.595 Da
  • Monoisotopic mass516.259949 Da
  • ChemSpider ID29315058

  • Double-bond stereo - Double-bond stereo

More details:

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

1-({4-[(1E)-1-({[4-CYCLOHEXYL-3-(TRIFLUOROMETHYL)PHENYL]METHOXY}IMINO)ETHYL]-2-ETHYLPHENYL}METHYL)AZETIDINE-3-CARBOXYLIC ACID
1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluormethyl)benzyl]oxy}ethanimidoyl]-2-ethylbenzyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}ethanimidoyl]-2-ethylbenzyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1230487-00-9 [RN]
3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]- [ACD/Index Name]
Acide 1-{4-[(1E)-N-{[4-cyclohexyl-3-(trifluorométhyl)benzyl]oxy}ethanimidoyl]-2-éthylbenzyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
BAF312
Mayzent [Trade name]
RR6P8L282I
Siponimod [INN]
More...

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

9491 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.9±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 213.40
ACD/KOC (pH 5.5): 315.26
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 210.23
ACD/KOC (pH 7.4): 310.58
Polar Surface Area: 62 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 413.6±7.0 cm3

Click to predict properties on the Chemicalize site


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