3-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1673 |
| Compound Name: | 3-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C16 H17 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCc1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8129 |
| logD: | 1.811 |
| logSw: | -2.1828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.723 |
| InChI Key: | MRKZJADOUHFJKN-LLVKDONJSA-N |