3-(4-acetylpiperazin-1-yl)-6-chloro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-(4-acetylpiperazin-1-yl)-6-chloro-4H-1-benzothiopyran-4-one
3-(4-acetylpiperazin-1-yl)-6-chloro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0119 |
| Compound Name: | 3-(4-acetylpiperazin-1-yl)-6-chloro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 322.81 |
| Molecular Formula: | C15 H15 Cl N2 O2 S |
| Smiles: | CC(N1CCN(CC1)C1=CSc2ccc(cc2C1=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7845 |
| logD: | 2.7844 |
| logSw: | -3.4792 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.68 |
| InChI Key: | OCBSNMXHWLUWIY-UHFFFAOYSA-N |