2-(3,4-dimethoxyphenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one
2-(3,4-dimethoxyphenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P930-5551 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C22 H23 F N4 O3 |
| Smiles: | COc1ccc(CC(N2CCC[C@H]2c2nnc(c3ccc(cc3)F)[nH]2)=O)cc1OC |
| Stereo: | ABSOLUTE |
| logP: | 2.4748 |
| logD: | 2.4393 |
| logSw: | -2.8107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.193 |
| InChI Key: | HEUSYPHDUKPYHY-KRWDZBQOSA-N |