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29247-82-3 | 3H-1-Benzazepin-3-one, 8-chloro-1,2,4,5-tetrahydro-1-[(4-methylphenyl)sulfonyl]-
CAS No: 29247-82-3 Catalog No: AG002XTY MDL No:
Product Description
Catalog Number:
AG002XTY
Chemical Name:
3H-1-Benzazepin-3-one, 8-chloro-1,2,4,5-tetrahydro-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
29247-82-3
Molecular Formula:
C17H16ClNO3S
Molecular Weight:
349.8318
IUPAC Name:
8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
InChI:
InChI=1S/C17H16ClNO3S/c1-12-2-8-16(9-3-12)23(21,22)19-11-15(20)7-5-13-4-6-14(18)10-17(13)19/h2-4,6,8-10H,5,7,11H2,1H3
InChI Key:
IXDHOVRVVYQZLL-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N(C1)S(=O)(=O)c1ccc(cc1)C)cc(cc2)Cl
NSC Number:
163833
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.829g/mol
Monoisotopic Mass:
349.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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