4-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid

Chemical Structure Depiction of
4-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
Available: 69 mg
Amount:
mg
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Compound characteristics

Compound ID: J038-0417
Compound Name: 4-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
Molecular Weight: 388.26
Molecular Formula: C19 H18 Br N O3
Smiles: C1C[C@H]2C(c3ccc(cc3)C(O)=O)Nc3ccc(cc3[C@H]2OC1)[Br]
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.3719
logD: 1.4004
logSw: -4.2214
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 2
Polar surface area: 49.238
InChI Key: DZCMDZAVIRVBGZ-CFNGDTMJSA-N
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