3-(4-methoxyphenyl)-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one
3-(4-methoxyphenyl)-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | P937-3717 |
| Compound Name: | 3-(4-methoxyphenyl)-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | COc1ccc(CCC(N2CCC(Cc3nnc(c4ccncc4)[nH]3)C2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4799 |
| logD: | 2.4567 |
| logSw: | -2.34 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.135 |
| InChI Key: | BWPSHFMCZFTRTE-KRWDZBQOSA-N |