1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | F053-0964 |
| Compound Name: | 1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1ccc2c(c1)NCCS2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7612 |
| logD: | 2.7612 |
| logSw: | -3.406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.515 |
| InChI Key: | RBGFHSQDMDDVBZ-UHFFFAOYSA-N |