(3-fluoro-4-methoxyphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(3-fluoro-4-methoxyphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(3-fluoro-4-methoxyphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB34-0446 |
| Compound Name: | (3-fluoro-4-methoxyphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C21 H20 F2 N4 O2 |
| Smiles: | COc1ccc(cc1F)C(N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9362 |
| logD: | 2.9318 |
| logSw: | -3.3327 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.263 |
| InChI Key: | HOQSKDZRGHOMSL-HZPDHXFCSA-N |