3-[(2S,4S)-1-benzyl-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S,4S)-1-benzyl-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
3-[(2S,4S)-1-benzyl-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0176 |
| Compound Name: | 3-[(2S,4S)-1-benzyl-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 272.35 |
| Molecular Formula: | C15 H20 N4 O |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2ccccc2)OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 1.7497 |
| logD: | 1.7429 |
| logSw: | -1.9829 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.585 |
| InChI Key: | NPYSINODLQBDEY-UONOGXRCSA-N |