(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one

C₃₁H₂₅F₂NO₃CAS 190595-65-4497.54 g/mol

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Amide Aryl halide Ether Ketone Lactam

Properties

Molecular formula: C₃₁H₂₅F₂NO₃
Molar mass: 497.54 g/mol
Exact mass: 497.1802 Da
logP: 6.91Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 9
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

190595-65-4

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CCC(=O)C5=CC=C(C=C5)F

InChIKey

BVYNXBNCXPJQCW-PQHLKRTFSA-N

InChI

InChI=1S/C31H25F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28,30H,18-20H2/t28-,30-/m1/s1

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Names and synonyms

1 names

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one

Work with (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-2-azetidinone163222-32-073 % similar (3R,4S)-1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one191330-56-067 % similar (3S,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone1593543-07-746 % similar Ezetimibe163222-33-146 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-546 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-343 % similar 1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-042 % similar 4-(Benzyloxy)benzoic acid1486-51-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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