(3,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
(3,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
(3,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | P930-5550 |
| Compound Name: | (3,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C21 H21 F N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.29 |
| logD: | 2.2545 |
| logSw: | -2.8094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.721 |
| InChI Key: | VZPWLRUUCVMNLV-INIZCTEOSA-N |