N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0180 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C24 H29 F N4 O2 S |
| Smiles: | C(CNC(CN1C(CCSc2ccccc12)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.7639 |
| logD: | 2.4327 |
| logSw: | -3.1781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.205 |
| InChI Key: | IFTPGJFQULOQRP-UHFFFAOYSA-N |