1-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0893 |
| Compound Name: | 1-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C21 H29 N5 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(N3CCC(C)CC3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9554 |
| logD: | 2.9554 |
| logSw: | -3.505 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.389 |
| InChI Key: | ZHKMRGHVJLKCHE-UHFFFAOYSA-N |