1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | P930-5501 |
| Compound Name: | 1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | COc1ccc(CCC(N2CCC[C@H]2c2nnc(c3ccc(cc3)F)[nH]2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.2722 |
| logD: | 3.2367 |
| logSw: | -3.4178 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.476 |
| InChI Key: | IWUWPSRGGQFMHJ-IBGZPJMESA-N |