N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}-4-(pyridin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}-4-(pyridin-2-yl)piperazine-1-carboxamide
N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}-4-(pyridin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y043-7771 |
| Compound Name: | N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}-4-(pyridin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C20 H25 N5 O2 S |
| Smiles: | C[C@@H](C(Nc1cccc(c1)SC)=O)NC(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0938 |
| logD: | 3.0849 |
| logSw: | -3.4927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.327 |
| InChI Key: | TWJKCRNRHVRGFV-HNNXBMFYSA-N |