ChemSpider 2D Image | 1-(3,4-Difluorobenzyl)-3-hydroxy-3-({[2-(1,3-thiazol-2-yl)ethyl]amino}methyl)-2-piperidinone | C18H21F2N3O2S

1-(3,4-Difluorobenzyl)-3-hydroxy-3-({[2-(1,3-thiazol-2-yl)ethyl]amino}methyl)-2-piperidinone

  • Molecular FormulaC18H21F2N3O2S
  • Average mass381.440 Da
  • Monoisotopic mass381.132263 Da
  • ChemSpider ID29644803

More details:

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

1-(3,4-Difluorbenzyl)-3-hydroxy-3-({[2-(1,3-thiazol-2-yl)ethyl]amino}methyl)-2-piperidinon [German] [ACD/IUPAC Name]
1-(3,4-Difluorobenzyl)-3-hydroxy-3-({[2-(1,3-thiazol-2-yl)ethyl]amino}methyl)-2-piperidinone [ACD/IUPAC Name]
1-(3,4-Difluorobenzyl)-3-hydroxy-3-({[2-(1,3-thiazol-2-yl)éthyl]amino}méthyl)-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[[2-(2-thiazolyl)ethyl]amino]methyl]- [ACD/Index Name]
1-(3,4-difluorobenzyl)-3-hydroxy-3-({[2-(1,3-thiazol-2-yl)ethyl]amino}methyl)piperidin-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 81.99
Polar Surface Area: 94 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 282.5±3.0 cm3

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