3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[(2-methylphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[(2-methylphenyl)methyl]propanamide
3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[(2-methylphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | L705-1425 |
| Compound Name: | 3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[(2-methylphenyl)methyl]propanamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(NCc1ccccc1C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8223 |
| logD: | 2.8222 |
| logSw: | -3.374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.627 |
| InChI Key: | UKSQMVUEKKHZFN-OAHLLOKOSA-N |