rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide

Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: V006-5389
Compound Name: rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Molecular Weight: 499.01
Molecular Formula: C27 H31 Cl N2 O5
Smiles: CCNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1cccc(c1)[Cl])OCc1ccccc1C#N)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.6017
logD: 4.6017
logSw: -4.6544
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 69.77
InChI Key: FHLPMPDHZTTYLQ-SGLZHPSQSA-N
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