ChemSpider 2D Image | 2-{2-[(2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(3-methoxybenzyl)acetamide | C20H22N6O4S3

2-{2-[(2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(3-methoxybenzyl)acetamide

  • Molecular FormulaC20H22N6O4S3
  • Average mass506.621 Da
  • Monoisotopic mass506.086456 Da
  • ChemSpider ID39238972

More details:

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

2-{2-[(2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(3-methoxybenzyl)acetamid [German] [ACD/IUPAC Name]
2-{2-[(2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(3-methoxybenzyl)acetamide [ACD/IUPAC Name]
2-{2-[(2-{[5-(Éthylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoéthyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(3-méthoxybenzyl)acétamide [French] [ACD/IUPAC Name]
4-Pyrimidineacetamide, 2-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]thio]-1,6-dihydro-N-[(3-methoxyphenyl)methyl]-6-oxo- [ACD/Index Name]
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((4-(2-((3-methoxybenzyl)amino)-2-oxoethyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide

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: 1.715
Molar Refractivity: 132.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.74
ACD/KOC (pH 5.5): 299.62
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 34.35
Polar Surface Area: 214 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 337.1±7.0 cm3

Click to predict properties on the Chemicalize site


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