ChemSpider 2D Image | (1S)-1-(5-{[1-(2,6-Difluorobenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol | C18H16F2N6OS2

(1S)-1-(5-{[1-(2,6-Difluorobenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol

  • Molecular FormulaC18H16F2N6OS2
  • Average mass434.486 Da
  • Monoisotopic mass434.079498 Da
  • ChemSpider ID31145387

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(5-{[1-(2,6-Difluorbenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol [German] [ACD/IUPAC Name]
(1S)-1-(5-{[1-(2,6-Difluorobenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol [ACD/IUPAC Name]
(1S)-1-(5-{[1-(2,6-Difluorobenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-méthyl-1,3-thiazol-2-yl)éthanol [French] [ACD/IUPAC Name]
1,3,4-Thiadiazole-2-methanol, 5-[[1-[(2,6-difluorophenyl)methyl]-1H-pyrazol-3-yl]amino]-α-methyl-α-(4-methyl-2-thiazolyl)-, (αS)- [ACD/Index Name]
VMY

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

Density: 1.6±0.1 g/cm3
Boiling Point: 606.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.7±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.61
ACD/KOC (pH 5.5): 1162.87
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.37
ACD/KOC (pH 7.4): 1160.80
Polar Surface Area: 145 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 278.2±7.0 cm3

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