(3-fluoro-4-methylphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(3-fluoro-4-methylphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(3-fluoro-4-methylphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB32-0899 |
| Compound Name: | (3-fluoro-4-methylphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1C[C@@H](COC)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5748 |
| logD: | 3.5704 |
| logSw: | -3.8342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.057 |
| InChI Key: | LMEDTXYBRALAOF-ZWKOTPCHSA-N |