N-(2-bromo-4-methylphenyl)-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
N-(2-bromo-4-methylphenyl)-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E699-3230 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C20 H21 Br N2 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(C(C)CC(Nc1ccc(C)cc1[Br])=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6208 |
| logD: | 3.6204 |
| logSw: | -3.7782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.068 |
| InChI Key: | FVWVKPATNOYTBG-UHFFFAOYSA-N |