3-{(2S,4S)-4-(benzyloxy)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-4-(benzyloxy)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-4-(benzyloxy)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0251 |
| Compound Name: | 3-{(2S,4S)-4-(benzyloxy)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C20 H24 N4 O S |
| Smiles: | Cc1ccsc1CN1C[C@H](C[C@H]1c1nc(C)[nH]n1)OCc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.5326 |
| logD: | 3.5298 |
| logSw: | -3.6358 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.288 |
| InChI Key: | JRWYNNGXRSWDLV-MSOLQXFVSA-N |