3-{4-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{4-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{4-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y041-4913 |
| Compound Name: | 3-{4-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C16 H19 Cl N6 O3 S |
| Smiles: | C1CS(CC1N1CCN(CC1)C(c1ccc(cc1n1cnnn1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0647 |
| logD: | -0.0648 |
| logSw: | -2.6525 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.882 |
| InChI Key: | YJPDNXKPLWXSIX-ZDUSSCGKSA-N |