rel-(3R,4R)-1-benzyl-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-benzyl-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-benzyl-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0799 |
| Compound Name: | rel-(3R,4R)-1-benzyl-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C16 H21 N5 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(NC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5631 |
| logD: | -1.715 |
| logSw: | -2.0221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.437 |
| InChI Key: | COLCSYMMGBPFAH-KBPBESRZSA-N |