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19711-99-0 | 7H-Dibenz[b,d]azepin-7-one, 5,6-dihydro-5-[(4-methylphenyl)sulfonyl]-6-(phenylmethylene)-
CAS No: 19711-99-0 Catalog No: AG002ALL MDL No:
Product Description
Catalog Number:
AG002ALL
Chemical Name:
7H-Dibenz[b,d]azepin-7-one, 5,6-dihydro-5-[(4-methylphenyl)sulfonyl]-6-(phenylmethylene)-
CAS Number:
19711-99-0
Molecular Formula:
C28H21NO3S
Molecular Weight:
451.5362
IUPAC Name:
(6E)-6-benzylidene-5-(4-methylphenyl)sulfonylbenzo[d][1]benzazepin-7-one
InChI:
InChI=1S/C28H21NO3S/c1-20-15-17-22(18-16-20)33(31,32)29-26-14-8-7-12-24(26)23-11-5-6-13-25(23)28(30)27(29)19-21-9-3-2-4-10-21/h2-19H,1H3/b27-19+
InChI Key:
YONGLBOFWMKHCB-ZXVVBBHZSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c(=Cc2ccccc2)c(=O)c2c(c3c1cccc3)cccc2
NSC Number:
114934
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
451.124g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.54g/mol
Monoisotopic Mass:
451.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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