4-(3-methylbutyl)-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(3-methylbutyl)-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(3-methylbutyl)-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F798-0259 |
| Compound Name: | 4-(3-methylbutyl)-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C20 H27 N5 O2 S2 |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCC(N1CCCCC1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6732 |
| logD: | 3.6732 |
| logSw: | -3.8098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.258 |
| InChI Key: | FNJZJMZZBMDHTR-AWEZNQCLSA-N |