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161725-13-9 | 2-Oxazolidinone, 3-(1-oxo-5-phenylpentyl)-4-(phenylmethyl)-, (4S)-
CAS No: 161725-13-9 Catalog No: AG001VUP MDL No:
Product Description
Catalog Number:
AG001VUP
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-5-phenylpentyl)-4-(phenylmethyl)-, (4S)-
CAS Number:
161725-13-9
Molecular Formula:
C21H23NO3
Molecular Weight:
337.4122
IUPAC Name:
(4S)-4-benzyl-3-(5-phenylpentanoyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C21H23NO3/c23-20(14-8-7-11-17-9-3-1-4-10-17)22-19(16-25-21(22)24)15-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2/t19-/m0/s1
InChI Key:
KEGIFRQLJWATJK-IBGZPJMESA-N
SMILES:
O=C(N1C(=O)OC[C@@H]1Cc1ccccc1)CCCCc1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.419g/mol
Monoisotopic Mass:
337.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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