N-(4-bromo-3-methylphenyl)-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
N-(4-bromo-3-methylphenyl)-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E589-0938 |
| Compound Name: | N-(4-bromo-3-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(C)c1)[Br])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0222 |
| logD: | 4.0214 |
| logSw: | -4.063 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.03 |
| InChI Key: | QLCAEYFRIJFDHN-QGZVFWFLSA-N |