5-methyl-3-[(2S,4S)-4-[(3-methylphenyl)methoxy]-1-(oxan-4-yl)pyrrolidin-2-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
5-methyl-3-[(2S,4S)-4-[(3-methylphenyl)methoxy]-1-(oxan-4-yl)pyrrolidin-2-yl]-1H-1,2,4-triazole
5-methyl-3-[(2S,4S)-4-[(3-methylphenyl)methoxy]-1-(oxan-4-yl)pyrrolidin-2-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0503 |
| Compound Name: | 5-methyl-3-[(2S,4S)-4-[(3-methylphenyl)methoxy]-1-(oxan-4-yl)pyrrolidin-2-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C2CCOCC2)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.995 |
| logD: | 2.9292 |
| logSw: | -2.9941 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.565 |
| InChI Key: | KADFISXGLDUAFQ-MOPGFXCFSA-N |