(2S)-N-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
(2S)-N-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
(2S)-N-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y043-5747 |
| Compound Name: | (2S)-N-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C17 H17 Cl F N5 O S |
| Smiles: | CSCC[C@@H](C(Nc1nc(c2ccc(c(c2)[Cl])F)[nH]n1)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.9646 |
| logD: | 3.9264 |
| logSw: | -4.4471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.043 |
| InChI Key: | IIRLWPOAPRQGLQ-AWEZNQCLSA-N |