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912824-07-8 | 4(1H)-Quinolinone, 8-(4-dibenzothienyl)-2-(4-morpholinyl)-
CAS No: 912824-07-8 Catalog No: AG006OWM MDL No:
Product Description
Catalog Number:
AG006OWM
Chemical Name:
4(1H)-Quinolinone, 8-(4-dibenzothienyl)-2-(4-morpholinyl)-
CAS Number:
912824-07-8
Molecular Formula:
C25H20N2O2S
Molecular Weight:
412.5035
IUPAC Name:
8-dibenzothiophen-4-yl-2-morpholin-4-yl-1H-quinolin-4-one
InChI:
InChI=1S/C25H20N2O2S/c28-21-15-23(27-11-13-29-14-12-27)26-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2,(H,26,28)
InChI Key:
XKKWDDMFTXIFKG-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c2c1cccc2c1cccc2c1sc1c2cccc1)N1CCOCC1
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.125g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.507g/mol
Monoisotopic Mass:
412.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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