ChemSpider 2D Image | (3R)-7-[(4,6-Dimethoxy-2-pyrimidinyl)sulfanyl]-3-methyl-2-benzofuran-1(3H)-one | C15H14N2O4S

(3R)-7-[(4,6-Dimethoxy-2-pyrimidinyl)sulfanyl]-3-methyl-2-benzofuran-1(3H)-one

  • Molecular FormulaC15H14N2O4S
  • Average mass318.348 Da
  • Monoisotopic mass318.067413 Da
  • ChemSpider ID32789981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-7-[(4,6-Dimethoxy-2-pyrimidinyl)sulfanyl]-3-methyl-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3R)-7-[(4,6-Dimethoxy-2-pyrimidinyl)sulfanyl]-3-methyl-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
(3R)-7-[(4,6-Diméthoxy-2-pyrimidinyl)sulfanyl]-3-méthyl-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 7-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-, (3R)- [ACD/Index Name]
135186-78-6 [RN]
Pyriftalid
UNII-4KJ568Y783

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.8±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.62
ACD/KOC (pH 5.5): 834.25
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.62
ACD/KOC (pH 7.4): 834.25
Polar Surface Area: 96 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 227.4±5.0 cm3

Click to predict properties on the Chemicalize site


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