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139264-15-6 | 2-Oxazolidinone, 4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-, (4S)-
CAS No: 139264-15-6 Catalog No: AG001AL9 MDL No:
Product Description
Catalog Number:
AG001AL9
Chemical Name:
2-Oxazolidinone, 4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-, (4S)-
CAS Number:
139264-15-6
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H17N3O2/c15-4-3-10-7-16-13-2-1-9(6-12(10)13)5-11-8-19-14(18)17-11/h1-2,6-7,11,16H,3-5,8,15H2,(H,17,18)
InChI Key:
NKOBWHOGNBPTDO-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1cc(cc2)C[C@H]1COC(=O)N1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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