ethyl 4-[({(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidine-1-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
ethyl 4-[({(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidine-1-carbonyl}amino)methyl]benzoate
ethyl 4-[({(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidine-1-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | P930-5629 |
| Compound Name: | ethyl 4-[({(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidine-1-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C23 H24 F N5 O3 |
| Smiles: | CCOC(c1ccc(CNC(N2CCC[C@H]2c2nnc(c3ccc(cc3)F)[nH]2)=O)cc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2774 |
| logD: | 3.2418 |
| logSw: | -3.2212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.357 |
| InChI Key: | DJPMPLUGFKMNQM-IBGZPJMESA-N |