(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide
Chemical Structure Depiction of
(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide
(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide
Compound characteristics
| Compound ID: | Y043-5740 |
| Compound Name: | (2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | CSCC[C@@H](C(Nc1cccc(c1)c1nc[nH]n1)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.7019 |
| logD: | 2.6986 |
| logSw: | -3.1795 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.556 |
| InChI Key: | BNXNDWVJLKJBOZ-HNNXBMFYSA-N |