1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-methylthieno[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-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0086 |
| Compound Name: | 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C22 H24 N6 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)Cc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1813 |
| logD: | 1.1484 |
| logSw: | -2.0234 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.695 |
| InChI Key: | RAKIUVXGYQOYGB-UHFFFAOYSA-N |