4-(2-methylpropyl)-1-[4-oxo-4-(piperidin-1-yl)butyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(2-methylpropyl)-1-[4-oxo-4-(piperidin-1-yl)butyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(2-methylpropyl)-1-[4-oxo-4-(piperidin-1-yl)butyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0877 |
| Compound Name: | 4-(2-methylpropyl)-1-[4-oxo-4-(piperidin-1-yl)butyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(N3CCCCC3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.625 |
| logD: | 2.625 |
| logSw: | -2.9329 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.389 |
| InChI Key: | RHHMPHVDSKNPFG-UHFFFAOYSA-N |