N-(2-bromo-4-methylphenyl)-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
N-(2-bromo-4-methylphenyl)-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E589-0916 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C20 H21 Br N2 O4 S2 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(Nc1ccc(C)cc1[Br])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.629 |
| logD: | 3.6288 |
| logSw: | -3.7914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.332 |
| InChI Key: | KWXWWDRYELJCCV-QGZVFWFLSA-N |