1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB29-0261 |
| Compound Name: | 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(Cc2ccccc2F)=O)OCc2ccccc2)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 3.347 |
| logD: | 3.3456 |
| logSw: | -3.4482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.492 |
| InChI Key: | IXHIPSAQGQAJMU-QUCCMNQESA-N |