3-[4-(2-chlorophenyl)piperazin-1-yl]-6-methyl-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-[4-(2-chlorophenyl)piperazin-1-yl]-6-methyl-4H-1-benzothiopyran-4-one
3-[4-(2-chlorophenyl)piperazin-1-yl]-6-methyl-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0088 |
| Compound Name: | 3-[4-(2-chlorophenyl)piperazin-1-yl]-6-methyl-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 370.9 |
| Molecular Formula: | C20 H19 Cl N2 O S |
| Smiles: | Cc1ccc2c(c1)C(C(=CS2)N1CCN(CC1)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1779 |
| logD: | 5.1779 |
| logSw: | -5.3636 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.4442 |
| InChI Key: | XWOIMMBKCSCGML-UHFFFAOYSA-N |