ChemSpider 2D Image | Cilofexor | C28H22Cl3N3O5


  • Molecular FormulaC28H22Cl3N3O5
  • Average mass586.850 Da
  • Monoisotopic mass585.062500 Da
  • ChemSpider ID68007315

More details:

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

2-[3-(2-Chlor-4-{[5-cyclopropyl-3-(2,6-dichlorphenyl)-1,2-oxazol-4-yl]methoxy}phenyl)-3-hydroxy-1-azetidinyl]isonicotinsäure [German] [ACD/IUPAC Name]
2-[3-(2-Chloro-4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}phenyl)-3-hydroxy-1-azetidinyl]isonicotinic acid [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]phenyl]-3-hydroxy-1-azetidinyl]- [ACD/Index Name]
Acide 2-[3-(2-chloro-4-{[5-cyclopropyl-3-(2,6-dichlorophényl)-1,2-oxazol-4-yl]méthoxy}phényl)-3-hydroxy-1-azétidinyl]isonicotinique [French] [ACD/IUPAC Name]
cilofexor [French] [INN]
cilofexor [Spanish] [INN]
Cilofexor [INN]
cilofexorum [Latin] [INN]
昔洛法克索 [Chinese] [INN]
1418274-28-8 [RN]

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

YUN2306954 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 855.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.2±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 22.59
ACD/KOC (pH 5.5): 69.26
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 5.72
ACD/KOC (pH 7.4): 17.53
Polar Surface Area: 109 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 381.4±3.0 cm3

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