rel-(3R,4R)-N~1~-[(3-methoxyphenyl)methyl]-N~3~-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1,3-dicarboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N~1~-[(3-methoxyphenyl)methyl]-N~3~-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-N~1~-[(3-methoxyphenyl)methyl]-N~3~-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S641-0879 |
| Compound Name: | rel-(3R,4R)-N~1~-[(3-methoxyphenyl)methyl]-N~3~-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C18 H24 N6 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(NC)=O)C(NCc2cccc(c2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.14 |
| logD: | 0.1395 |
| logSw: | -2.0078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.039 |
| InChI Key: | OQFIYKDZUZOVKX-HUUCEWRRSA-N |