7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-3462 |
| Compound Name: | 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCc1cc2c(cc3C(N(CC(N4CCN(CC4)Cc4ccccc4)=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2542 |
| logD: | 2.2388 |
| logSw: | -2.6449 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.635 |
| InChI Key: | LQSCMPZAIUFURR-UHFFFAOYSA-N |