ChemSpider 2D Image | 3-[4-Amino-3-({2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid | C14H13Cl2N5O4S

3-[4-Amino-3-({2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid

  • Molecular FormulaC14H13Cl2N5O4S
  • Average mass418.255 Da
  • Monoisotopic mass417.006531 Da
  • ChemSpider ID21604744

More details:

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

1,2,4-Triazine-6-propanoic acid, 4-amino-3-[[2-[(2,6-dichlorophenyl)amino]-2-oxoethyl]thio]-4,5-dihydro-5-oxo- [ACD/Index Name]
3-[4-Amino-3-({2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid [ACD/IUPAC Name]
3-[4-Amino-3-({2-[(2,6-dichlorphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-amino-3-({2-[(2,6-dichlorophényl)amino]-2-oxoéthyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.22
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 73.0±7.0 dyne/cm
Molar Volume: 244.9±7.0 cm3

Click to predict properties on the Chemicalize site


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