N-[(4-methylphenyl)methyl]-3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carboxamide
N-[(4-methylphenyl)methyl]-3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | P937-3365 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carboxamide |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C21 H24 N6 O |
| Smiles: | Cc1ccc(CNC(N2CCC(Cc3nnc(c4cccnc4)[nH]3)C2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1988 |
| logD: | 2.0943 |
| logSw: | -2.0473 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.351 |
| InChI Key: | SBQFWWUCQWGYGM-QGZVFWFLSA-N |