4-acetyl-N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
4-acetyl-N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | E459-0168 |
| Compound Name: | 4-acetyl-N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 441.36 |
| Molecular Formula: | C17 H17 Br N2 O3 S2 |
| Smiles: | CC(N1CCSc2ccc(cc12)S(Nc1ccc(c(C)c1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8066 |
| logD: | 3.2756 |
| logSw: | -3.9654 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.94 |
| InChI Key: | SMEFLPJGBXGYDR-UHFFFAOYSA-N |