ChemSpider 2D Image | 5,6-Dimethyl-3-(2-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-piperidinyl}-2-oxoethyl)-4(3H)-pyrimidinone | C16H22N6O4S

5,6-Dimethyl-3-(2-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-piperidinyl}-2-oxoethyl)-4(3H)-pyrimidinone

  • Molecular FormulaC16H22N6O4S
  • Average mass394.449 Da
  • Monoisotopic mass394.142334 Da
  • ChemSpider ID30763681

More details:

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

4(3H)-Pyrimidinone, 5,6-dimethyl-3-[2-[4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-piperidinyl]-2-oxoethyl]- [ACD/Index Name]
5,6-Dimethyl-3-(2-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-piperidinyl}-2-oxoethyl)-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
5,6-Dimethyl-3-(2-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-piperidinyl}-2-oxoethyl)-4(3H)-pyrimidinone [ACD/IUPAC Name]
5,6-Diméthyl-3-(2-{4-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-pipéridinyl}-2-oxoéthyl)-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
1448137-12-9 [RN]
5,6-dimethyl-3-(2-(4-((4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl)piperidin-1-yl)-2-oxoethyl)pyrimidin-4(3H)-one
5,6-dimethyl-3-(2-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl}-2-oxoethyl)-3,4-dihydropyrimidin-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 654.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.3±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.23
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.23
Polar Surface Area: 126 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 263.3±7.0 cm3

Click to predict properties on the Chemicalize site


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