4-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0130 |
| Compound Name: | 4-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C21 H26 N4 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(NCCN1CCN(CC1)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3899 |
| logD: | 2.376 |
| logSw: | -3.0587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.233 |
| InChI Key: | FQMIUCXNLDSEEI-UHFFFAOYSA-N |