1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0423 |
| Compound Name: | 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-pentylthieno[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: | CCCCCN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)Cc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3302 |
| logD: | 3.2973 |
| logSw: | -3.577 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.908 |
| InChI Key: | CDUNFKKNCQNPOJ-UHFFFAOYSA-N |