3-{(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
3-{(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | CL9902-2880 |
| Compound Name: | 3-{(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C18 H22 Cl F N4 O |
| Smiles: | C1C[C@@H](c2nnc(C3CCOCC3)[nH]2)N(C1)Cc1ccc(cc1[Cl])F |
| Stereo: | ABSOLUTE |
| logP: | 2.7635 |
| logD: | 2.5175 |
| logSw: | -3.4989 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.811 |
| InChI Key: | DPWWBIGSYIMDLF-INIZCTEOSA-N |