4-(3-methylbutyl)-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(3-methylbutyl)-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(3-methylbutyl)-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0977 |
| Compound Name: | 4-(3-methylbutyl)-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C25 H31 N7 O2 S |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3ccccn3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2653 |
| logD: | 3.2564 |
| logSw: | -3.6361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.139 |
| InChI Key: | JLIRJXRDTGSXRV-UHFFFAOYSA-N |