ChemSpider 2D Image | basmisanil | C21H20FN3O5S

basmisanil

  • Molecular FormulaC21H20FN3O5S
  • Average mass445.464 Da
  • Monoisotopic mass445.110779 Da
  • ChemSpider ID34500832

More details:






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

(1,1-Dioxido-4-thiomorpholinyl)(6-{[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy}-3-pyridinyl)methanone [ACD/IUPAC Name]
(1,1-Dioxido-4-thiomorpholinyl)(6-{[3-(4-fluorphenyl)-5-methyl-1,2-oxazol-4-yl]methoxy}-3-pyridinyl)methanon [German] [ACD/IUPAC Name]
(1,1-dioxo-1λ6-thiomorpholin-4-yl)(6-{[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4- yl]methoxy}pyridin-3-yl)methanone
(1,1-Dioxydo-4-thiomorpholinyl)(6-{[3-(4-fluorophényl)-5-méthyl-1,2-oxazol-4-yl]méthoxy}-3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
1159600-41-5 [RN]
788PET5SUA
9936
basmisanil [INN] [USAN]
basmisanil [French] [INN]
basmisanil [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 726.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.2±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.60
ACD/KOC (pH 5.5): 86.98
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 87.01
Polar Surface Area: 111 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 320.8±3.0 cm3

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