Found 11 results

Search term: MF = 'C_{21}H_{17}BrClN_{3}O_{3}S_{2}'
ChemSpider 2D Image | (E)-N-[6-Bromo-3-(2-propyn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-1-[(4-chlorophenyl)sulfonyl]prolinamide | C21H17BrClN3O3S2

(E)-N-[6-Bromo-3-(2-propyn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-1-[(4-chlorophenyl)sulfonyl]prolinamide

  • Molecular FormulaC21H17BrClN3O3S2
  • Average mass538.865 Da
  • Monoisotopic mass536.958313 Da
  • ChemSpider ID20750364

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-[6-Brom-3-(2-propin-1-yl)-1,3-benzothiazol-2(3H)-yliden]-1-[(4-chlorphenyl)sulfonyl]prolinamid [German] [ACD/IUPAC Name]
(E)-N-[6-Bromo-3-(2-propyn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-1-[(4-chlorophenyl)sulfonyl]prolinamide [ACD/IUPAC Name]
(E)-N-[6-Bromo-3-(2-propyn-1-yl)-1,3-benzothiazol-2(3H)-ylidène]-1-[(4-chlorophényl)sulfonyl]prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(2E)-6-bromo-3-(2-propyn-1-yl)-2(3H)-benzothiazolylidene]-1-[(4-chlorophenyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 668.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.9±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3265.50
ACD/KOC (pH 5.5): 11399.33
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3265.50
ACD/KOC (pH 7.4): 11399.33
Polar Surface Area: 104 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 335.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement