6-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
6-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0126 |
| Compound Name: | 6-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C20 H19 Cl N2 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C1=CSc2ccc(cc2C1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8815 |
| logD: | 4.8813 |
| logSw: | -4.8807 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.2889 |
| InChI Key: | SEJHEJXGBVBOIG-UHFFFAOYSA-N |