ChemSpider 2D Image | (2E)-3-(2-Chlorophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]acrylamide | C22H26ClN5O5S

(2E)-3-(2-Chlorophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]acrylamide

  • Molecular FormulaC22H26ClN5O5S
  • Average mass507.990 Da
  • Monoisotopic mass507.134308 Da
  • ChemSpider ID123158557

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(2-Chlorophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]acrylamide [ACD/IUPAC Name]
(2E)-3-(2-Chlorophényl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]déc-8-yl)-1-(1,1-dioxydotétrahydro-3-thiophényl)-1H-1,2,4-triazol-5-yl]acrylamide [French] [ACD/IUPAC Name]
(2E)-3-(2-Chlorphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 3-(2-chlorophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]-, (2E)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.45
ACD/KOC (pH 5.5): 130.99
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.66
ACD/KOC (pH 7.4): 135.22
Polar Surface Area: 124 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 66.2±7.0 dyne/cm
Molar Volume: 324.7±7.0 cm3

Click to predict properties on the Chemicalize site


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