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4-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(1,3-thiazole-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile

Chemical Structure Depiction of
4-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(1,3-thiazole-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Available: 6 mg
Amount:
mg
Format:
$83.09
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Compound characteristics

Compound ID: S947-5086
Compound Name: 4-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(1,3-thiazole-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 436.45
Molecular Formula: C20 H19 F3 N4 O2 S
Smiles: [H]OC[C@@]12CN(C[C@H]2CCN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cscn1)=O
Stereo: RELATIVE
logP: 2.325
logD: 2.325
logSw: -2.824
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 64.033
InChI Key: LHMWPPZLAOTXDW-AUUYWEPGSA-N
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