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1421605-12-0 | 8-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
CAS No: 1421605-12-0 Catalog No: AG019ZJS MDL No:MFCD22391934
Product Description
Catalog Number:
AG019ZJS
Chemical Name:
8-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
CAS Number:
1421605-12-0
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
MDL Number:
MFCD22391934
IUPAC Name:
8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
InChI:
InChI=1S/C11H14N2O4S/c1-17-9-6-8-7(3-2-4-11(14)13-8)5-10(9)18(12,15)16/h5-6H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
InChI Key:
VTQIMPPNBBBQER-UHFFFAOYSA-N
SMILES:
COc1cc2NC(=O)CCCc2cc1S(=O)(=O)N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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