Found 178 results

Search term: MF = 'C_{17}H_{21}F_{3}N_{4}OS'
ChemSpider 2D Image | N-(1,2-Benzothiazol-5-yl)-3-{[ethyl(2,2,2-trifluoroethyl)amino]methyl}-1-pyrrolidinecarboxamide | C17H21F3N4OS

N-(1,2-Benzothiazol-5-yl)-3-{[ethyl(2,2,2-trifluoroethyl)amino]methyl}-1-pyrrolidinecarboxamide

  • Molecular FormulaC17H21F3N4OS
  • Average mass386.435 Da
  • Monoisotopic mass386.138824 Da
  • ChemSpider ID64983511

More details:

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

1-Pyrrolidinecarboxamide, N-1,2-benzisothiazol-5-yl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]- [ACD/Index Name]
N-(1,2-Benzothiazol-5-yl)-3-{[ethyl(2,2,2-trifluorethyl)amino]methyl}-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-(1,2-Benzothiazol-5-yl)-3-{[ethyl(2,2,2-trifluoroethyl)amino]methyl}-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-(1,2-Benzothiazol-5-yl)-3-{[éthyl(2,2,2-trifluoroéthyl)amino]méthyl}-1-pyrrolidinecarboxamide [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: 468.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.4±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 53.63
ACD/KOC (pH 5.5): 538.73
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.81
ACD/KOC (pH 7.4): 791.62
Polar Surface Area: 77 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement