3-(oxan-4-yl)-5-[(2S)-1-({2-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(oxan-4-yl)-5-[(2S)-1-({2-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-4H-1,2,4-triazole
3-(oxan-4-yl)-5-[(2S)-1-({2-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | CL9902-2499 |
| Compound Name: | 3-(oxan-4-yl)-5-[(2S)-1-({2-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-4H-1,2,4-triazole |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C21 H30 N4 O2 |
| Smiles: | CC(C)Oc1ccccc1CN1CCC[C@H]1c1nnc(C2CCOCC2)[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8051 |
| logD: | 0.5167 |
| logSw: | -3.0799 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.7 |
| InChI Key: | MAWLTQJXZTVKJW-SFHVURJKSA-N |