ChemSpider 2D Image | N-[(2E)-3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene]-1-[(5-chloro-2-thienyl)sulfonyl]-2-piperidinecarboxamide | C22H22ClN3O5S3

N-[(2E)-3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene]-1-[(5-chloro-2-thienyl)sulfonyl]-2-piperidinecarboxamide

  • Molecular FormulaC22H22ClN3O5S3
  • Average mass540.075 Da
  • Monoisotopic mass539.041016 Da
  • ChemSpider ID20793014

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Piperidinecarboxamide, 1-[(5-chloro-2-thienyl)sulfonyl]-N-[(2E)-6,7-dihydro-3-(2-propen-1-yl)[1,4]dioxino[2,3-f]benzothiazol-2(3H)-ylidene]- [ACD/Index Name]
N-[(2E)-3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-yliden]-1-[(5-chlor-2-thienyl)sulfonyl]-2-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[(2E)-3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidene]-1-[(5-chloro-2-thienyl)sulfonyl]-2-piperidinecarboxamide [ACD/IUPAC Name]
N-[(2E)-3-Allyl-6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2(3H)-ylidène]-1-[(5-chloro-2-thiényl)sulfonyl]-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(E)-N-(3-allyl-6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2(3H)-ylidene)-1-((5-chlorothiophen-2-yl)sulfonyl)piperidine-2-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 714.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.9±35.7 °C
Index of Refraction: 1.735
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 979.36
ACD/KOC (pH 5.5): 4814.13
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 979.36
ACD/KOC (pH 7.4): 4814.13
Polar Surface Area: 150 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 338.1±7.0 cm3

Click to predict properties on the Chemicalize site


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