ChemSpider 2D Image | N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide | C21H27N7O3S2

N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID33772474

More details:






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

1,3-Diazaspiro[4.5]decane-3-acetamide, N-[5-[4,5-dihydro-4-(2-propen-1-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]-4-methyl-2-thiazolyl]-8-ethyl-2,4-dioxo- [ACD/Index Name]
N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamid [German] [ACD/IUPAC Name]
N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide [ACD/IUPAC Name]
N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-méthyl-1,3-thiazol-2-yl]-2-(8-éthyl-2,4-dioxo-1,3-diazaspiro[4.5]déc-3-yl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 22.91
ACD/KOC (pH 5.5): 325.25
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 8.57
ACD/KOC (pH 7.4): 121.63
Polar Surface Area: 179 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 319.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement