ChemSpider 2D Image | 1-(5-Chloro-2-methoxyphenyl)-N-[3-(diethylamino)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-5-oxo-3-pyrrolidinecarboxamide | C22H29ClN6O5S

1-(5-Chloro-2-methoxyphenyl)-N-[3-(diethylamino)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID123913033

More details:

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

1-(5-Chlor-2-methoxyphenyl)-N-[3-(diethylamino)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1-(5-Chloro-2-methoxyphenyl)-N-[3-(diethylamino)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl]-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(5-Chloro-2-méthoxyphényl)-N-[3-(diéthylamino)-1-(1,1-dioxydotétrahydro-3-thiophényl)-1H-1,2,4-triazol-5-yl]-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(5-chloro-2-methoxyphenyl)-N-[3-(diethylamino)-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]-5-oxo- [ACD/Index 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: 1.684
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.61
ACD/KOC (pH 5.5): 87.01
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 87.53
Polar Surface Area: 135 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 346.8±7.0 cm3

Click to predict properties on the Chemicalize site


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