ChemSpider 2D Image | 5-({[4-Hydroxy-5-(1-piperidinyl)pentyl]carbamoyl}amino)-3-[(2,3,6-trifluoro-4-methylbenzyl)oxy]-1,2-thiazole-4-carboxamide | C23H30F3N5O4S

5-({[4-Hydroxy-5-(1-piperidinyl)pentyl]carbamoyl}amino)-3-[(2,3,6-trifluoro-4-methylbenzyl)oxy]-1,2-thiazole-4-carboxamide

  • Molecular FormulaC23H30F3N5O4S
  • Average mass529.576 Da
  • Monoisotopic mass529.197083 Da
  • ChemSpider ID8205492

More details:

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

4-Isothiazolecarboxamide, 5-[[[[4-hydroxy-5-(1-piperidinyl)pentyl]amino]carbonyl]amino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]- [ACD/Index Name]
5-({[4-Hydroxy-5-(1-piperidinyl)pentyl]carbamoyl}amino)-3-[(2,3,6-trifluor-4-methylbenzyl)oxy]-1,2-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
5-({[4-Hydroxy-5-(1-piperidinyl)pentyl]carbamoyl}amino)-3-[(2,3,6-trifluoro-4-methylbenzyl)oxy]-1,2-thiazole-4-carboxamide [ACD/IUPAC Name]
5-({[4-Hydroxy-5-(1-pipéridinyl)pentyl]carbamoyl}amino)-3-[(2,3,6-trifluoro-4-méthylbenzyl)oxy]-1,2-thiazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.3±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 16.25
Polar Surface Area: 158 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 383.8±3.0 cm3

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