ChemSpider 2D Image | (S)-piketoprofen | C22H20N2O2

(S)-piketoprofen

  • Molecular FormulaC22H20N2O2
  • Average mass344.406 Da
  • Monoisotopic mass344.152466 Da
  • ChemSpider ID32701923
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(3-Benzoylphenyl)-N-(4-methyl-2-pyridinyl)propanamid [German] [ACD/IUPAC Name]
(2S)-2-(3-Benzoylphenyl)-N-(4-methyl-2-pyridinyl)propanamide [ACD/IUPAC Name]
(2S)-2-(3-Benzoylphényl)-N-(4-méthyl-2-pyridinyl)propanamide [French] [ACD/IUPAC Name]
(S)-piketoprofen
190719-62-1 [RN]
Benzeneacetamide, 3-benzoyl-α-methyl-N-(4-methyl-2-pyridinyl)-, (αS)- [ACD/Index Name]
60576-13-8 [RN]
piketoprofen [INN]
PIKETOPROFEN, (+)-
PIKETOPROFEN, (S)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2RW0K9F76A [DBID]
UNII:2RW0K9F76A [DBID]
UNII-2RW0K9F76A [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 583.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.7±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 541.33
ACD/KOC (pH 5.5): 3123.18
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 557.24
ACD/KOC (pH 7.4): 3214.93
Polar Surface Area: 59 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 288.1±3.0 cm3

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