1-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
Chemical Structure Depiction of
1-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
1-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
Compound characteristics
| Compound ID: | E539-0037 |
| Compound Name: | 1-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | C(CC(N1CCSc2ccccc12)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3608 |
| logD: | 2.352 |
| logSw: | -2.3969 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.188 |
| InChI Key: | OICWTUHCIOKBSN-UHFFFAOYSA-N |