(2S)-N-(3-chloro-4-fluorophenyl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
(2S)-N-(3-chloro-4-fluorophenyl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
(2S)-N-(3-chloro-4-fluorophenyl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y043-5741 |
| Compound Name: | (2S)-N-(3-chloro-4-fluorophenyl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 326.82 |
| Molecular Formula: | C15 H16 Cl F N2 O S |
| Smiles: | CSCC[C@@H](C(Nc1ccc(c(c1)[Cl])F)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.8747 |
| logD: | 3.823 |
| logSw: | -4.2496 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.1239 |
| InChI Key: | KKLHPJJGPLQFFI-AWEZNQCLSA-N |