N-(1,3-benzothiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
N-(1,3-benzothiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
Compound characteristics
| Compound ID: | Y042-4451 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C21 H21 F N4 O2 S |
| Smiles: | C(CC(N1CCN(CC1)c1ccc(cc1)F)=O)C(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1672 |
| logD: | 3.167 |
| logSw: | -3.3193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.53 |
| InChI Key: | QHDRIBNKMZUBJD-UHFFFAOYSA-N |