7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one
Chemical Structure Depiction of
7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one
7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one
Compound characteristics
| Compound ID: | G596-0029 |
| Compound Name: | 7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-5H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-6(7H)-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(CSc2cccn2c2ccccc12)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.8603 |
| logD: | 2.8514 |
| logSw: | -3.198 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.471 |
| InChI Key: | BHJVQRLNNNPFIH-UHFFFAOYSA-N |