3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1862 |
| Compound Name: | 3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C23 H29 N3 O3 S2 |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NS(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.952 |
| logD: | 2.5022 |
| logSw: | -3.8429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.829 |
| InChI Key: | CYEDFNXZIRLAJU-QGZVFWFLSA-N |