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 |