7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one
Chemical Structure Depiction of
7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one
7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one
Compound characteristics
| Compound ID: | G596-0025 |
| Compound Name: | 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8737 |
| logD: | 2.8583 |
| logSw: | -3.2042 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.24 |
| InChI Key: | GXSVYTMMWQTWQB-UHFFFAOYSA-N |