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833458-21-2 | Methanone, (3,5-diphenyl-4-isoxazolyl)(4-phenyl-1H-pyrrol-3-yl)-
CAS No: 833458-21-2 Catalog No: AG0055MP MDL No:
Product Description
Catalog Number:
AG0055MP
Chemical Name:
Methanone, (3,5-diphenyl-4-isoxazolyl)(4-phenyl-1H-pyrrol-3-yl)-
CAS Number:
833458-21-2
Molecular Formula:
C26H18N2O2
Molecular Weight:
390.4333
IUPAC Name:
(3,5-diphenyl-1,2-oxazol-4-yl)-(4-phenyl-1H-pyrrol-3-yl)methanone
InChI:
InChI=1S/C26H18N2O2/c29-25(22-17-27-16-21(22)18-10-4-1-5-11-18)23-24(19-12-6-2-7-13-19)28-30-26(23)20-14-8-3-9-15-20/h1-17,27H
InChI Key:
RXNLKXRYEGOVOM-UHFFFAOYSA-N
SMILES:
O=C(c1c(onc1c1ccccc1)c1ccccc1)c1c[nH]cc1c1ccccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.137g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.442g/mol
Monoisotopic Mass:
390.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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