4-(3-methylbutyl)-1-[4-oxo-4-(4-phenylpiperazin-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-phenylpiperazin-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-phenylpiperazin-1-yl)butyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0974 |
| Compound Name: | 4-(3-methylbutyl)-1-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C26 H32 N6 O2 S |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5977 |
| logD: | 3.5976 |
| logSw: | -3.8756 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.627 |
| InChI Key: | OUYFTCDQPSMUFU-UHFFFAOYSA-N |