2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
Compound ID: | F798-0224 |
Compound Name: | 2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
Molecular Weight: | 441.57 |
Molecular Formula: | C21 H23 N5 O2 S2 |
Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1cccc(C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4441 |
logD: | 4.4441 |
logSw: | -4.1846 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.73 |
InChI Key: | YLKARMXFGLAQTP-UHFFFAOYSA-N |