(2S)-4-(methylsulfanyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]-2-(1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
(2S)-4-(methylsulfanyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]-2-(1H-pyrrol-1-yl)butanamide
(2S)-4-(methylsulfanyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]-2-(1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y043-5743 |
| Compound Name: | (2S)-4-(methylsulfanyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]-2-(1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C17 H18 N4 O S2 |
| Smiles: | CSCC[C@@H](C(Nc1nc(cs1)c1cccnc1)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3617 |
| logD: | 3.3389 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.417 |
| InChI Key: | YYQSHBQLRULYPN-HNNXBMFYSA-N |