1-{4-[4-(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | F053-0547 |
| Compound Name: | 1-{4-[4-(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1ccc2c(c1)N(CCS2)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4675 |
| logD: | 2.4675 |
| logSw: | -2.7793 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.089 |
| InChI Key: | BTLGRWVXNAVTPG-UHFFFAOYSA-N |