4-acetyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
4-acetyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | F053-0556 |
| Compound Name: | 4-acetyl-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C17 H18 N2 O3 S3 |
| Smiles: | CC(N1CCSc2ccc(cc12)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.093 |
| logD: | 3.0561 |
| logSw: | -3.5766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.94 |
| InChI Key: | CPESOAJMLNXADQ-UHFFFAOYSA-N |