Found 239 results

Search term: MF = 'C_{17}H_{19}ClFN_{3}O_{3}S'
ChemSpider 2D Image | Methyl 4-chloro-2-{[3-fluoro-4-(4-hydroxy-1-piperidinyl)benzyl]amino}-1,3-thiazole-5-carboxylate | C17H19ClFN3O3S

Methyl 4-chloro-2-{[3-fluoro-4-(4-hydroxy-1-piperidinyl)benzyl]amino}-1,3-thiazole-5-carboxylate

  • Molecular FormulaC17H19ClFN3O3S
  • Average mass399.867 Da
  • Monoisotopic mass399.081970 Da
  • ChemSpider ID30067166

More details:

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

4-Chloro-2-{[3-fluoro-4-(4-hydroxy-1-pipéridinyl)benzyl]amino}-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-chloro-2-[[[3-fluoro-4-(4-hydroxy-1-piperidinyl)phenyl]methyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-chloro-2-{[3-fluoro-4-(4-hydroxy-1-piperidinyl)benzyl]amino}-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-chlor-2-{[3-fluor-4-(4-hydroxy-1-piperidinyl)benzyl]amino}-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 578.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.7±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.35
ACD/KOC (pH 5.5): 672.60
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.81
ACD/KOC (pH 7.4): 719.31
Polar Surface Area: 103 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 275.6±3.0 cm3

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