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Home > Sulfanilamide > 87764-57-6
87764-57-6 | Methanesulfonamide,N-[4-(9-acridinylimino)-3-methoxy-2,5-cyclohexadien-1-ylidene]-
CAS No: 87764-57-6 Catalog No: AG004IDC MDL No:
Product Description
Catalog Number:
AG004IDC
Chemical Name:
Methanesulfonamide,N-[4-(9-acridinylimino)-3-methoxy-2,5-cyclohexadien-1-ylidene]-
CAS Number:
87764-57-6
Molecular Formula:
C21H17N3O3S
Molecular Weight:
391.4430
IUPAC Name:
N-(4-acridin-9-ylimino-3-methoxycyclohexa-2,5-dien-1-ylidene)methanesulfonamide
InChI:
InChI=1S/C21H17N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13H,1-2H3
InChI Key:
GJTVPJRMTNFWEV-UHFFFAOYSA-N
SMILES:
COC1=CC(=NS(=O)(=O)C)C=CC1=Nc1c2ccccc2nc2c1cccc2
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.099g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.445g/mol
Monoisotopic Mass:
391.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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