ChemSpider 2D Image | 2-[(5-{[2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)acetamide | C18H20N8O6S3

2-[(5-{[2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)acetamide

  • Molecular FormulaC18H20N8O6S3
  • Average mass540.596 Da
  • Monoisotopic mass540.066772 Da
  • ChemSpider ID1777533

More details:

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

2-[(5-{[2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)acetamid [German] [ACD/IUPAC Name]
2-[(5-{[2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)acetamide [ACD/IUPAC Name]
2-[(5-{[2-(6-Amino-1,3-diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-2-oxoéthyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-[[2-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]-N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)- [ACD/Index Name]

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

ZINC03262924 [DBID]

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: 1.738
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.02
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.03
Polar Surface Area: 258 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 103.2±5.0 dyne/cm
Molar Volume: 321.0±5.0 cm3

Click to predict properties on the Chemicalize site


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