ChemSpider 2D Image | (Z)-1-[(5-Chlorotetrahydro-2-thiophenyl)sulfonyl]-N-(3-methyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene)prolinamide | C19H22ClN3O5S3

(Z)-1-[(5-Chlorotetrahydro-2-thiophenyl)sulfonyl]-N-(3-methyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene)prolinamide

  • Molecular FormulaC19H22ClN3O5S3
  • Average mass504.043 Da
  • Monoisotopic mass503.041016 Da
  • ChemSpider ID110124817

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1-[(5-Chlorotetrahydro-2-thiophenyl)sulfonyl]-N-(3-methyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene)prolinamide [ACD/IUPAC Name]
(Z)-1-[(5-Chlorotétrahydro-2-thiophényl)sulfonyl]-N-(3-méthyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidène)prolinamide [French] [ACD/IUPAC Name]
(Z)-1-[(5-Chlortetrahydro-2-thiophenyl)sulfonyl]-N-(3-methyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-yliden)prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(5-chlorotetrahydro-2-thienyl)sulfonyl]-N-[(2Z)-6,7-dihydro-3-methyl[1,4]dioxino[2,3-f]benzothiazol-2(3H)-ylidene]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 710.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±35.7 °C
Index of Refraction: 1.781
Molar Refractivity: 121.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.24
ACD/KOC (pH 5.5): 490.05
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.24
ACD/KOC (pH 7.4): 490.05
Polar Surface Area: 147 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 73.0±7.0 dyne/cm
Molar Volume: 290.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement