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Home > Fluorides > 163380-16-3
163380-16-3 | 2-Azetidinone, 1-(4-fluorophenyl)-3-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-
CAS No: 163380-16-3 Catalog No: AG001U20 MDL No:
Product Description
Catalog Number:
AG001U20
Chemical Name:
2-Azetidinone, 1-(4-fluorophenyl)-3-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-
CAS Number:
163380-16-3
Molecular Formula:
C24H21F2NO3
Molecular Weight:
409.4252
IUPAC Name:
(3R,4S)-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-/m1/s1
InChI Key:
OLNTVTPDXPETLC-DNVJHFABSA-N
SMILES:
Oc1ccc(cc1)[C@@H]1[C@@H](CC[C@H](c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
409.149g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
409.433g/mol
Monoisotopic Mass:
409.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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