N-[rel-(3R,4S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide

Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Available: 76 mg
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mg
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Compound characteristics

Compound ID: SB33-1357
Compound Name: N-[rel-(3R,4S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Molecular Weight: 407.47
Molecular Formula: C21 H25 N7 O2
Smiles: CCn1cc(C(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(C)=O)=O)c(C)n1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 0.8283
logD: 0.8239
logSw: -2.3957
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 89.995
InChI Key: ICOCXNMRYWKIRW-QZTJIDSGSA-N
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