ChemSpider 2D Image | TTA-P2 | C21H29Cl2FN2O2

TTA-P2

  • Molecular FormulaC21H29Cl2FN2O2
  • Average mass431.372 Da
  • Monoisotopic mass430.159027 Da
  • ChemSpider ID23329375

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-3,5-dichloro-N-((1-((2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl)-4-fluoropiperidin-4-yl)methyl)benzamide
1072018-68-8 [RN]
3,5-Dichlor-N-[(1-{[(4S)-2,2-dimethyltetrahydro-2H-pyran-4-yl]methyl}-4-fluor-4-piperidinyl)methyl]benzamid [German] [ACD/IUPAC Name]
3,5-Dichloro-N-[(1-{[(4S)-2,2-dimethyltetrahydro-2H-pyran-4-yl]methyl}-4-fluoro-4-piperidinyl)methyl]benzamide [ACD/IUPAC Name]
3,5-Dichloro-N-[(1-{[(4S)-2,2-diméthyltétrahydro-2H-pyran-4-yl]méthyl}-4-fluoro-4-pipéridinyl)méthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,5-dichloro-N-[[4-fluoro-1-[[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]methyl]-4-piperidinyl]methyl]- [ACD/Index Name]
TTA-P2
(S)-3,5-dichloro-N-((1-((2,2-dimethyl-tetrahydro-2H-pyran-4-yl)methyl)-4-fluoropiperidin-4-yl)methyl)benzamide
(S)-3,5-Dichloro-N-[1-(2,2-dimethyl-tetrahydro-pyran-4-ylmethyl)-4-fluoro-piperidin-4-ylmethyl]-benzamide
[1072018-68-8] [RN]
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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: 510.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.3±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 31.19
ACD/KOC (pH 5.5): 134.18
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 952.26
ACD/KOC (pH 7.4): 4096.51
Polar Surface Area: 42 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 343.1±5.0 cm3

Click to predict properties on the Chemicalize site


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