4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2764 |
| Compound Name: | 4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C22 H28 N4 O3 S2 |
| Smiles: | C(CNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)CN1CCN(CC1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4684 |
| logD: | 2.1749 |
| logSw: | -3.0471 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.233 |
| InChI Key: | JJMUJRDOUZCCSG-UHFFFAOYSA-N |