ChemSpider 2D Image | N-(2-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1-(2-methylbutanoyl)-3-piperidinecarboxamide | C21H33N3O2S

N-(2-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1-(2-methylbutanoyl)-3-piperidinecarboxamide

  • Molecular FormulaC21H33N3O2S
  • Average mass391.571 Da
  • Monoisotopic mass391.229340 Da
  • ChemSpider ID78965948

More details:

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

3-Piperidinecarboxamide, N-(2-ethyl-4,5,6,7-tetrahydro-7-benzothiazolyl)-N-methyl-1-(2-methyl-1-oxobutyl)- [ACD/Index Name]
N-(2-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1-(2-methylbutanoyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(2-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1-(2-methylbutanoyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
N-(2-Éthyl-4,5,6,7-tétrahydro-1,3-benzothiazol-7-yl)-N-méthyl-1-(2-méthylbutanoyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.91
ACD/KOC (pH 5.5): 1199.19
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.96
ACD/KOC (pH 7.4): 1208.14
Polar Surface Area: 82 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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