2-methyl-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1653 |
| Compound Name: | 2-methyl-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 445.6 |
| Molecular Formula: | C22 H27 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1ccc(CN2CCCCC2)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3562 |
| logD: | 1.7742 |
| logSw: | -3.7321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.772 |
| InChI Key: | AQWLCKKUQQHMFE-MRXNPFEDSA-N |