ChemSpider 2D Image | 5-({3-[(6-Ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one | C18H19FN4O5S

5-({3-[(6-Ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC18H19FN4O5S
  • Average mass422.431 Da
  • Monoisotopic mass422.106018 Da
  • ChemSpider ID35012943

More details:

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

2(3H)-Benzoxazolone, 5-[[3-[(6-ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl]sulfonyl]-3-methyl- [ACD/Index Name]
5-({3-[(6-Ethyl-5-fluor-4-pyrimidinyl)oxy]-1-pyrrolidinyl}sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
5-({3-[(6-Ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
5-({3-[(6-Éthyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}sulfonyl)-3-méthyl-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]
2034363-31-8 [RN]
5-((3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)sulfonyl)-3-methylbenzo[d]oxazol-2(3H)-one
5-({3-[(6-ethyl-5-fluoropyrimidin-4-yl)oxy]pyrrolidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 618.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.6±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.00
ACD/KOC (pH 5.5): 180.82
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.00
ACD/KOC (pH 7.4): 180.94
Polar Surface Area: 110 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

Click to predict properties on the Chemicalize site


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