(3S,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone

C₂₄H₂₁F₂NO₃CAS 1593543-07-7409.43 g/mol

Open in Covalent MOL file

Alcohol Amide Halogen

Properties

Molecular formula: C₂₄H₂₁F₂NO₃
Molar mass: 409.43 g/mol
Exact mass: 409.1489 Da
logP: 4.89Crippen estimate
Polar surface area: 60.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6

Identifiers

CAS number

1593543-07-7

SMILES

O=C1[C@@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1

InChIKey

OLNTVTPDXPETLC-RJGXRXQPSA-N

InChI

InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22-,23+/m0/s1

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Names and synonyms

1 names

2-Azetidinone, 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3S,4S)-

Work with (3S,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone

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

Same formula

Ezetimibe163222-33-1

Elsewhere

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