ChemSpider 2D Image | 3-[7-Ethyl-8-(methoxycarbonyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl]propanoic acid | C12H14N4O5S

3-[7-Ethyl-8-(methoxycarbonyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl]propanoic acid

  • Molecular FormulaC12H14N4O5S
  • Average mass326.328 Da
  • Monoisotopic mass326.068481 Da
  • ChemSpider ID22511851

More details:

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

3-[7-Ethyl-8-(methoxycarbonyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl]propanoic acid [ACD/IUPAC Name]
3-[7-Ethyl-8-(methoxycarbonyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl]propansäure [German] [ACD/IUPAC Name]
4H,8H-[1,2,4]Triazino[3,4-b][1,3,4]thiadiazine-3-propanoic acid, 7-ethyl-8-(methoxycarbonyl)-4-oxo- [ACD/Index Name]
Acide 3-[7-éthyl-8-(méthoxycarbonyl)-4-oxo-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-3-yl]propanoïque [French] [ACD/IUPAC Name]
1081317-25-0 [RN]
MFCD11896236
NS-05452

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

Density: 1.6±0.1 g/cm3
Boiling Point: 494.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 252.6±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 78.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 66.8±7.0 dyne/cm
Molar Volume: 202.1±7.0 cm3

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