ChemSpider 2D Image | 2-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone | C20H34N4O2S

2-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone

  • Molecular FormulaC20H34N4O2S
  • Average mass394.575 Da
  • Monoisotopic mass394.240234 Da
  • ChemSpider ID29511029

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
2-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
2-(2,4-Diméthyl-1,3-thiazol-5-yl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-méthyl-1-pipérazinyl)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(2,4-dimethyl-5-thiazolyl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methyl-1-piperazinyl)-1-piperidinyl]- [ACD/Index Name]
3-[(3R*,4S*)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.18
Polar Surface Area: 88 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 338.5±3.0 cm3

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