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148260-85-9 | 2-Azetidinone, 1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)-, (3S,4S)-
CAS No: 148260-85-9 Catalog No: AG001FL2 MDL No:
Product Description
Catalog Number:
AG001FL2
Chemical Name:
2-Azetidinone, 1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)-, (3S,4S)-
CAS Number:
148260-85-9
Molecular Formula:
C26H27NO3
Molecular Weight:
401.4975
IUPAC Name:
(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
InChI:
InChI=1S/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25+/m0/s1
InChI Key:
IMNTVVOUWFPRSB-LOSJGSFVSA-N
SMILES:
COc1ccc(cc1)[C@@H]1[C@H](CCCc2ccccc2)C(=O)N1c1ccc(cc1)OC
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
401.199g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.506g/mol
Monoisotopic Mass:
401.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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