ChemSpider 2D Image | PF 4191834 | C22H23N3O2S

PF 4191834

  • Molecular FormulaC22H23N3O2S
  • Average mass393.502 Da
  • Monoisotopic mass393.151093 Da
  • ChemSpider ID25069695

More details:

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

1029317-21-2 [RN]
2H-Pyran-4-carboxamide, tetrahydro-4-[3-[[4-(1-methyl-1H-pyrazol-5-yl)phenyl]thio]phenyl]- [ACD/Index Name]
4-(3-(4-(1-Methyl-1H-pyrazol-5-yl) phenylthio) phenyl)-tetrahydro-2H-pyran-4-carboxamide
4-(3-{[4-(1-methyl-1H-pyrazol-5-yl)phenyl]sulfanyl}phenyl)oxane-4-carboxamide
4-(3-{[4-(1-Methyl-1H-pyrazol-5-yl)phenyl]sulfanyl}phenyl)tetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
4-(3-{[4-(1-Methyl-1H-pyrazol-5-yl)phenyl]sulfanyl}phenyl)tetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
4-(3-{[4-(1-Méthyl-1H-pyrazol-5-yl)phényl]sulfanyl}phényl)tétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]
4-(3-{[4-(2-methylpyrazol-3-yl)phenyl]sulfanyl}phenyl)oxane-4-carboxamide
MFCD18382581
PF 4191834
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 663.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.7±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.77
ACD/KOC (pH 5.5): 2914.24
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.88
ACD/KOC (pH 7.4): 2914.86
Polar Surface Area: 95 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 307.6±7.0 cm3

Click to predict properties on the Chemicalize site


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