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88914-18-5 | N-[4-[(4-methylacridin-9-yl)amino]-3-methylamino-phenyl]methanesulfonamide
CAS No: 88914-18-5 Catalog No: AG00496D MDL No:
Product Description
Catalog Number:
AG00496D
Chemical Name:
N-[4-[(4-methylacridin-9-yl)amino]-3-methylamino-phenyl]methanesulfonamide
CAS Number:
88914-18-5
Molecular Formula:
C22H22N4O2S
Molecular Weight:
406.5007
IUPAC Name:
N-[4-[(4-methylacridin-9-yl)amino]-3-(methylamino)phenyl]methanesulfonamide
InChI:
InChI=1S/C22H22N4O2S/c1-14-7-6-9-17-21(14)24-18-10-5-4-8-16(18)22(17)25-19-12-11-15(13-20(19)23-2)26-29(3,27)28/h4-13,23,26H,1-3H3,(H,24,25)
InChI Key:
QHUHRTJZBYYRTM-UHFFFAOYSA-N
SMILES:
CNc1cc(ccc1Nc1c2ccccc2nc2c1cccc2C)NS(=O)(=O)C
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.146g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.504g/mol
Monoisotopic Mass:
406.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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