N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanamide
N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanamide
Compound characteristics
| Compound ID: | Y042-4549 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(CCC(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3754 |
| logD: | 2.3666 |
| logSw: | -2.9478 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.28 |
| InChI Key: | YIQBEGPXSPOXAB-UHFFFAOYSA-N |