N-(4-bromo-3-methylphenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-bromo-3-methylphenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1777 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 441.36 |
| Molecular Formula: | C17 H17 Br N2 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1ccc(c(C)c1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.254 |
| logD: | 3.723 |
| logSw: | -4.2108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.097 |
| InChI Key: | JDYSHZLCQWBYSZ-LLVKDONJSA-N |