1-(2,5-dimethoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
1-(2,5-dimethoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y042-3301 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-5-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H23 N5 O4 |
| Smiles: | COc1ccc(c(c1)N1CC(CC1=O)C(Nc1ccc(Cn2cncn2)cc1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2565 |
| logD: | 1.2565 |
| logSw: | -1.9914 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.93 |
| InChI Key: | AVTHWHZSDSTJEY-MRXNPFEDSA-N |