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23145-78-0 | 11H-Dibenz[b,e]azepin-11-one, 5,6-dihydro-8-methoxy-5-[(4-methylphenyl)sulfonyl]-
CAS No: 23145-78-0 Catalog No: AG002MCJ MDL No:
Product Description
Catalog Number:
AG002MCJ
Chemical Name:
11H-Dibenz[b,e]azepin-11-one, 5,6-dihydro-8-methoxy-5-[(4-methylphenyl)sulfonyl]-
CAS Number:
23145-78-0
Molecular Formula:
C22H19NO4S
Molecular Weight:
393.4556
IUPAC Name:
8-methoxy-5-(4-methylphenyl)sulfonyl-6H-benzo[c][1]benzazepin-11-one
InChI:
InChI=1S/C22H19NO4S/c1-15-7-10-18(11-8-15)28(25,26)23-14-16-13-17(27-2)9-12-19(16)22(24)20-5-3-4-6-21(20)23/h3-13H,14H2,1-2H3
InChI Key:
YHZOEIDZYPULEQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CN(c1c(C2=O)cccc1)S(=O)(=O)c1ccc(cc1)C
NSC Number:
140802
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.103g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.457g/mol
Monoisotopic Mass:
393.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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