ChemSpider 2D Image | (2S)-2-{6'-[(6-Amino-3-pyridinyl)sulfonyl]-2'-anilino-2,3'-bipyridin-5-yl}-1,1,1-trifluoro-2-propanol | C24H20F3N5O3S

(2S)-2-{6'-[(6-Amino-3-pyridinyl)sulfonyl]-2'-anilino-2,3'-bipyridin-5-yl}-1,1,1-trifluoro-2-propanol

  • Molecular FormulaC24H20F3N5O3S
  • Average mass515.508 Da
  • Monoisotopic mass515.123901 Da
  • ChemSpider ID35034947

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{6'-[(6-Amino-3-pyridinyl)sulfonyl]-2'-anilino-2,3'-bipyridin-5-yl}-1,1,1-trifluor-2-propanol [German] [ACD/IUPAC Name]
(2S)-2-{6'-[(6-Amino-3-pyridinyl)sulfonyl]-2'-anilino-2,3'-bipyridin-5-yl}-1,1,1-trifluoro-2-propanol [ACD/IUPAC Name]
(2S)-2-{6'-[(6-Amino-3-pyridinyl)sulfonyl]-2'-anilino-2,3'-bipyridin-5-yl}-1,1,1-trifluoro-2-propanol [French] [ACD/IUPAC Name]
(2s)-2-{6'-[(6-Aminopyridin-3-Yl)sulfonyl]-2'-(Phenylamino)-2,3'-Bipyridin-5-Yl}-1,1,1-Trifluoropropan-2-Ol
[2,3'-Bipyridine]-5-methanol, 6'-[(6-amino-3-pyridinyl)sulfonyl]-α-methyl-2'-(phenylamino)-α-(trifluoromethyl)-, (αS)- [ACD/Index Name]
2UY

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

Density: 1.5±0.1 g/cm3
Boiling Point: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.93
ACD/KOC (pH 5.5): 843.32
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.95
ACD/KOC (pH 7.4): 843.48
Polar Surface Area: 139 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 355.2±3.0 cm3

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