3-{(2S,4S)-4-(benzyloxy)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-4-(benzyloxy)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-4-(benzyloxy)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0255 |
| Compound Name: | 3-{(2S,4S)-4-(benzyloxy)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2ccc(cc2OC)OC)OCc2ccccc2)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3503 |
| logD: | 3.3467 |
| logSw: | -3.5278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.444 |
| InChI Key: | YHEUGGCPUNAOHS-LEWJYISDSA-N |