ChemSpider 2D Image | N-{3-[Butyl(ethyl)amino]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide | C22H29ClN6O5S

N-{3-[Butyl(ethyl)amino]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID123171785

More details:

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

4H-1,4-Benzoxazine-4-acetamide, N-[3-(butylethylamino)-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]-6-chloro-2,3-dihydro-3-oxo- [ACD/Index Name]
N-{3-[Butyl(ethyl)amino]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}-2-(6-chlor-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamid [German] [ACD/IUPAC Name]
N-{3-[Butyl(ethyl)amino]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-1,2,4-triazol-5-yl}-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide [ACD/IUPAC Name]
N-{3-[Butyl(éthyl)amino]-1-(1,1-dioxydotétrahydro-3-thiophényl)-1H-1,2,4-triazol-5-yl}-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-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: 1.683
Molar Refractivity: 131.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.44
ACD/KOC (pH 5.5): 269.04
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.50
ACD/KOC (pH 7.4): 269.99
Polar Surface Area: 135 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 347.7±7.0 cm3

Click to predict properties on the Chemicalize site


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