Found 24 results

Search term: MF = 'C_{22}H_{29}ClN_{6}O_{5}S'
ChemSpider 2D Image | 2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(dipropylamino)-1H-1,2,4-triazol-5-yl]acetamide | C22H29ClN6O5S

2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(dipropylamino)-1H-1,2,4-triazol-5-yl]acetamide

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID123905173

More details:

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

2-(6-Chlor-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(dipropylamino)-1H-1,2,4-triazol-5-yl]acetamid [German] [ACD/IUPAC Name]
2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(dipropylamino)-1H-1,2,4-triazol-5-yl]acetamide [ACD/IUPAC Name]
2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(1,1-dioxydotétrahydro-3-thiophényl)-3-(dipropylamino)-1H-1,2,4-triazol-5-yl]acétamide [French] [ACD/IUPAC Name]
4H-1,4-Benzoxazine-4-acetamide, 6-chloro-N-[3-(dipropylamino)-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]-2,3-dihydro-3-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: 1.683
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): 1.92
ACD/BCF (pH 5.5): 16.99
ACD/KOC (pH 5.5): 262.06
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.50
ACD/KOC (pH 7.4): 269.91
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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