1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)butane-1,4-dione
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | E539-0017 |
| Compound Name: | 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)butane-1,4-dione |
| Molecular Weight: | 429.97 |
| Molecular Formula: | C22 H24 Cl N3 O2 S |
| Smiles: | C(CC(N1CCSc2ccccc12)=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2768 |
| logD: | 3.2768 |
| logSw: | -3.5231 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.677 |
| InChI Key: | SNTHJZVTVKQVCZ-UHFFFAOYSA-N |