N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2362 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 488.67 |
| Molecular Formula: | C24 H32 N4 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCCCN1CCN(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5902 |
| logD: | 2.129 |
| logSw: | -3.1871 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.513 |
| InChI Key: | WCALQVDGJUZYHF-LJQANCHMSA-N |