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Home > Indoles and Oxindole > 114014-83-4
114014-83-4 | Ethanone, 1-[4,5-dihydro-5-(1H-indol-3-yl)-3-phenyl-4-isoxazolyl]-
CAS No: 114014-83-4 Catalog No: AG000ABF MDL No:
Product Description
Catalog Number:
AG000ABF
Chemical Name:
Ethanone, 1-[4,5-dihydro-5-(1H-indol-3-yl)-3-phenyl-4-isoxazolyl]-
CAS Number:
114014-83-4
Molecular Formula:
C19H16N2O2
Molecular Weight:
304.3425
IUPAC Name:
1-[5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]ethanone
InChI:
InChI=1S/C19H16N2O2/c1-12(22)17-18(13-7-3-2-4-8-13)21-23-19(17)15-11-20-16-10-6-5-9-14(15)16/h2-11,17,19-20H,1H3
InChI Key:
ZLFWJYQELVEEQK-UHFFFAOYSA-N
SMILES:
CC(=O)C1C(=NOC1c1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.349g/mol
Monoisotopic Mass:
304.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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