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
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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
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