ChemSpider 2D Image | 6-[(1e)-2-Phenyl-N-(3-Sulfanyl-4h-1,2,4-Triazol-4-Yl)ethanimidoyl]-2h-1,4-Benzoxazin-3(4h)-One | C18H15N5O2S

6-[(1e)-2-Phenyl-N-(3-Sulfanyl-4h-1,2,4-Triazol-4-Yl)ethanimidoyl]-2h-1,4-Benzoxazin-3(4h)-One

  • Molecular FormulaC18H15N5O2S
  • Average mass365.409 Da
  • Monoisotopic mass365.094635 Da
  • ChemSpider ID26327146

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-[(1E)-1-[(1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)imino]-2-phenylethyl]- [ACD/Index Name]
6-[(1e)-2-Phenyl-N-(3-Sulfanyl-4h-1,2,4-Triazol-4-Yl)ethanimidoyl]-2h-1,4-Benzoxazin-3(4h)-One
6-[(1E)-2-Phenyl-N-(5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-[(1E)-2-Phenyl-N-(5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-[(1E)-2-Phényl-N-(5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one [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: 1.741
Molar Refractivity: 101.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 5.18
ACD/KOC (pH 5.5): 55.44
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.39
Polar Surface Area: 120 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 250.3±7.0 cm3

Click to predict properties on the Chemicalize site


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