N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1651 |
| Compound Name: | N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C21 H25 F N4 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(NCCN1CCN(CC1)c1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5684 |
| logD: | 2.5626 |
| logSw: | -3.1782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.932 |
| InChI Key: | PUJGHEUUFAJXLH-UHFFFAOYSA-N |