ChemSpider 2D Image | 6-({[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetyl)-2H-1,4-benzoxazin-3(4H)-one | C27H22N4O5S

6-({[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetyl)-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID4993344

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]thio]acetyl]- [ACD/Index Name]
6-({[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetyl)-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-({[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetyl)-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-(2-{[5,6-Bis(4-méthoxyphényl)-1,2,4-triazin-3-yl]sulfanyl}acétyl)-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]

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

ASN 12726759 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 265.08
ACD/KOC (pH 5.5): 1889.08
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 265.07
ACD/KOC (pH 7.4): 1889.07
Polar Surface Area: 138 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 356.6±5.0 cm3

Click to predict properties on the Chemicalize site


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