2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]ethan-1-one
2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB32-0748 |
| Compound Name: | 2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(C2CC2)n[nH]1)C(COCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9679 |
| logD: | 1.9622 |
| logSw: | -2.4413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.487 |
| InChI Key: | ZTYCECBAONKDSG-DLBZAZTESA-N |