N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1791 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 445.6 |
| Molecular Formula: | C22 H27 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NC1CCN(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3352 |
| logD: | 2.2738 |
| logSw: | -3.7503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.685 |
| InChI Key: | KBXJCNUKVIHMBM-MRXNPFEDSA-N |