ChemSpider 2D Image | (E)-N-(3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide | C24H25N3O6S2

(E)-N-(3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide

  • Molecular FormulaC24H25N3O6S2
  • Average mass515.602 Da
  • Monoisotopic mass515.118469 Da
  • ChemSpider ID20750216

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-(3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-yliden)-1-[(4-methoxyphenyl)sulfonyl]prolinamid [German] [ACD/IUPAC Name]
(E)-N-(3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide [ACD/IUPAC Name]
(E)-N-(3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidène)-1-[(4-méthoxyphényl)sulfonyl]prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(2E)-6,7-dihydro-3-(2-propen-1-yl)[1,4]dioxino[2,3-f]benzothiazol-2(3H)-ylidene]-1-[(4-methoxyphenyl)sulfonyl]- [ACD/Index Name]
(E)-N-(3-allyl-6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2(3H)-ylidene)-1-((4-methoxyphenyl)sulfonyl)pyrrolidine-2-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 702.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 378.9±35.7 °C
Index of Refraction: 1.684
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 359.05
ACD/KOC (pH 5.5): 2347.40
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 359.05
ACD/KOC (pH 7.4): 2347.40
Polar Surface Area: 131 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 352.0±7.0 cm3

Click to predict properties on the Chemicalize site


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