ChemSpider 2D Image | 2-(Aminomethyl)-N-[1-(2-chloro-4-fluorobenzyl)-3-piperidinyl]-1,3-thiazole-4-carboxamide | C17H20ClFN4OS

2-(Aminomethyl)-N-[1-(2-chloro-4-fluorobenzyl)-3-piperidinyl]-1,3-thiazole-4-carboxamide

  • Molecular FormulaC17H20ClFN4OS
  • Average mass382.883 Da
  • Monoisotopic mass382.103027 Da
  • ChemSpider ID64000714

More details:

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

2-(Aminomethyl)-N-[1-(2-chlor-4-fluorbenzyl)-3-piperidinyl]-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-(Aminomethyl)-N-[1-(2-chloro-4-fluorobenzyl)-3-piperidinyl]-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-(Aminométhyl)-N-[1-(2-chloro-4-fluorobenzyl)-3-pipéridinyl]-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-(aminomethyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3-piperidinyl]- [ACD/Index 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: 563.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.4±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 28.07
Polar Surface Area: 99 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 275.6±5.0 cm3

Click to predict properties on the Chemicalize site


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