2-(3-methoxyphenyl)-1-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
2-(3-methoxyphenyl)-1-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | P937-3162 |
| Compound Name: | 2-(3-methoxyphenyl)-1-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | COc1cccc(CC(N2CCC(Cc3nnc(c4cccnc4)[nH]3)C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1616 |
| logD: | 2.057 |
| logSw: | -2.2817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.224 |
| InChI Key: | OVJQHECXFKNLNN-INIZCTEOSA-N |