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(3S,4R)-1-(4-fluorophenyl)-3-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one

(3S,4R)-1-(4-fluorophenyl)-3-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one

CAS: 1376614-99-1

Formula: C24H21F2NO3

SMILES: O[C@H](CC[C@H]1[C@@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1

IUPAC: (3S,4R)-1-(4-fluorophenyl)-3-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one

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

Composition: C (70.41%), H (5.17%), F (9.28%), N (3.42%), O (11.72%)

Molar Mass: 409.433

Atom Count: 51

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 409.148949866
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OLNTVTPDXPETLC-ZRBLBEILSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.86
Topological Polar Surface Area 60.77
Polarizability 41.59
Ring Count 4
Rotatable Bond Count 6

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