ChemSpider 2D Image | olinciguat | C21H16F5N7O3

olinciguat

  • Molecular FormulaC21H16F5N7O3
  • Average mass509.389 Da
  • Monoisotopic mass509.123474 Da
  • ChemSpider ID64835205

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3,3,3-Trifluor-2-[({5-fluor-2-[1-(2-fluorbenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}amino)methyl]-2-hydroxypropanamid [German] [ACD/IUPAC Name]
(2R)-3,3,3-Trifluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}amino)methyl]-2-hydroxypropanamide [ACD/IUPAC Name]
(2R)-3,3,3-Trifluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}amino)méthyl]-2-hydroxypropanamide [French] [ACD/IUPAC Name]
(2R)-3-[(5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-yl)amino]-2-hydroxy-2-(trifluoromethyl)propanamide
(2R)-3-[(5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl}pyrimidin-4-yl)amino]-2-hydroxy-2-(trifluoromethyl)propanamide
1628732-62-6 [RN]
olinciguat [INN]
olinciguat [French] [INN]
olinciguat [Spanish] [INN]
olinciguatum [Latin] [INN]
More...

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

10683 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 695.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.22
ACD/KOC (pH 5.5): 454.45
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.89
ACD/KOC (pH 7.4): 450.33
Polar Surface Area: 145 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 313.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement