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Search term: KMKJDWRQGUEOJR-INIZCTEOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-(6-{5-[(6-Amino-3-pyridinyl)sulfonyl]-2-thienyl}-5-chloro-3-pyridinyl)-1,1,1-trifluoro-2-propanol | C17H13ClF3N3O3S2

(2S)-2-(6-{5-[(6-Amino-3-pyridinyl)sulfonyl]-2-thienyl}-5-chloro-3-pyridinyl)-1,1,1-trifluoro-2-propanol

  • Molecular FormulaC17H13ClF3N3O3S2
  • Average mass463.882 Da
  • Monoisotopic mass463.003906 Da
  • ChemSpider ID35034945

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(6-{5-[(6-Amino-3-pyridinyl)sulfonyl]-2-thienyl}-5-chlor-3-pyridinyl)-1,1,1-trifluor-2-propanol [German] [ACD/IUPAC Name]
(2S)-2-(6-{5-[(6-Amino-3-pyridinyl)sulfonyl]-2-thienyl}-5-chloro-3-pyridinyl)-1,1,1-trifluoro-2-propanol [ACD/IUPAC Name]
(2S)-2-(6-{5-[(6-Amino-3-pyridinyl)sulfonyl]-2-thiényl}-5-chloro-3-pyridinyl)-1,1,1-trifluoro-2-propanol [French] [ACD/IUPAC Name]
(2s)-2-(6-{5-[(6-Aminopyridin-3-Yl)sulfonyl]thiophen-2-Yl}-5-Chloropyridin-3-Yl)-1,1,1-Trifluoropropan-2-Ol
3-Pyridinemethanol, 6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-thienyl]-5-chloro-α-methyl-α-(trifluoromethyl)-, (αS)- [ACD/Index Name]
2UW

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

Density: 1.6±0.1 g/cm3
Boiling Point: 624.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.3±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.17
ACD/KOC (pH 5.5): 714.23
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.23
ACD/KOC (pH 7.4): 714.90
Polar Surface Area: 143 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 297.3±3.0 cm3

Click to predict properties on the Chemicalize site


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