ChemSpider 2D Image | fulacimstat | C23H16F3N3O6

fulacimstat

  • Molecular FormulaC23H16F3N3O6
  • Average mass487.385 Da
  • Monoisotopic mass487.099121 Da
  • ChemSpider ID64835239

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
1-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluormethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydro-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
1-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
1488354-15-9 [RN]
5-Pyrimidinecarboxylic acid, 1-(2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)-3-[(1R)-2,3-dihydro-4-(trifluoromethyl)-1H-inden-1-yl]-1,2,3,4-tetrahydro-2,4-dioxo- [ACD/Index Name]
Acide 1-(3-méthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluorométhyl)-2,3-dihydro-1H-indén-1-yl]-1,2,3,4-tétrahydro-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
fulacimstat [INN]
fulacimstat [French] [INN]
fulacimstat [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10544 [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: 605.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.2±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 15.84
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 302.7±3.0 cm3

Click to predict properties on the Chemicalize site


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