rel-(3R,4R)-1-[(azepan-1-yl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[(azepan-1-yl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[(azepan-1-yl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0219 |
| Compound Name: | rel-(3R,4R)-1-[(azepan-1-yl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 334.42 |
| Molecular Formula: | C16 H26 N6 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(CN2CCCCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5391 |
| logD: | -1.4453 |
| logSw: | -1.2715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.384 |
| InChI Key: | BFXKCLUWBNGNMW-STQMWFEESA-N |