3-{(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
3-{(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | CL9902-2985 |
| Compound Name: | 3-{(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | CCOc1ccccc1CN1CCC[C@H]1c1nnc(C2CCOCC2)[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3788 |
| logD: | 0.7979 |
| logSw: | -2.5338 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.021 |
| InChI Key: | OZPJONCKDMUDTJ-KRWDZBQOSA-N |