3-{(2S,4S)-4-(benzyloxy)-1-[(thiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-4-(benzyloxy)-1-[(thiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-4-(benzyloxy)-1-[(thiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0232 |
| Compound Name: | 3-{(2S,4S)-4-(benzyloxy)-1-[(thiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C19 H22 N4 O S |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2cccs2)OCc2ccccc2)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 3.0564 |
| logD: | 3.0526 |
| logSw: | -3.0826 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.288 |
| InChI Key: | RIYHPWUQDXCZSF-AEFFLSMTSA-N |