1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB56-0804 |
| Compound Name: | 1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | COc1ccc(CC(N2C[C@@H](c3nc(C4CCCC4)no3)[C@@H](C2)c2cccnc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1631 |
| logD: | 4.1614 |
| logSw: | -4.2101 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.346 |
| InChI Key: | AIYDTKVEDSEESY-FCHUYYIVSA-N |