2-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2430 |
| Compound Name: | 2-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C18 H20 N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCc1cccc(C)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5239 |
| logD: | 3.5234 |
| logSw: | -3.7795 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.148 |
| InChI Key: | XMDKNRRSNZDISI-CYBMUJFWSA-N |