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135387-90-5 | 2-Oxazolidinone, 3-[(3,5-dimethoxyphenyl)acetyl]-4-(phenylmethyl)-, (S)-
CAS No: 135387-90-5 Catalog No: AG006Z0P MDL No:
Product Description
Catalog Number:
AG006Z0P
Chemical Name:
2-Oxazolidinone, 3-[(3,5-dimethoxyphenyl)acetyl]-4-(phenylmethyl)-, (S)-
CAS Number:
135387-90-5
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
IUPAC Name:
(4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C20H21NO5/c1-24-17-9-15(10-18(12-17)25-2)11-19(22)21-16(13-26-20(21)23)8-14-6-4-3-5-7-14/h3-7,9-10,12,16H,8,11,13H2,1-2H3/t16-/m0/s1
InChI Key:
UIQJYHSYPIJGID-INIZCTEOSA-N
SMILES:
COc1cc(cc(c1)OC)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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