ChemSpider 2D Image | (1R,4S)-4-Hydroxy-2,2-dimethyl-4-[5-(3-methyl-5-{[4-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)-1,3-thiazol-2-yl]cyclohexanecarboxylic acid | C24H25F3N4O3S

(1R,4S)-4-Hydroxy-2,2-dimethyl-4-[5-(3-methyl-5-{[4-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)-1,3-thiazol-2-yl]cyclohexanecarboxylic acid

  • Molecular FormulaC24H25F3N4O3S
  • Average mass506.540 Da
  • Monoisotopic mass506.159943 Da
  • ChemSpider ID28424195

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-4-Hydroxy-2,2-dimethyl-4-[5-(3-methyl-5-{[4-(trifluormethyl)-2-pyrimidinyl]amino}phenyl)-1,3-thiazol-2-yl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,4S)-4-Hydroxy-2,2-dimethyl-4-[5-(3-methyl-5-{[4-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)-1,3-thiazol-2-yl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,4S)-4-hydroxy-2,2-diméthyl-4-[5-(3-méthyl-5-{[4-(trifluorométhyl)-2-pyrimidinyl]amino}phényl)-1,3-thiazol-2-yl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]phenyl]-2-thiazolyl]-, (1R,4S)- [ACD/Index Name]
mk-0619

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.9±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 161.46
ACD/KOC (pH 5.5): 816.64
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 2.63
ACD/KOC (pH 7.4): 13.33
Polar Surface Area: 136 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 367.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement