N-(2-bromo-4-methylphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(2-bromo-4-methylphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2462 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C20 H21 Br N2 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1ccc(C)cc1[Br])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2208 |
| logD: | 3.2205 |
| logSw: | -3.4898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.663 |
| InChI Key: | KSOAUMHCUNTBLI-CYBMUJFWSA-N |