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88412-91-3 | N-[4-(ACRIDIN-9-YLAMINO)-3-(2-HYDROXYETHYLAMINO)PHENYL]METHANESULFONAMIDE
CAS No: 88412-91-3 Catalog No: AG004HZE MDL No:
Product Description
Catalog Number:
AG004HZE
Chemical Name:
N-[4-(ACRIDIN-9-YLAMINO)-3-(2-HYDROXYETHYLAMINO)PHENYL]METHANESULFONAMIDE
CAS Number:
88412-91-3
Molecular Formula:
C22H22N4O3S
Molecular Weight:
422.5001
IUPAC Name:
N-[4-(acridin-9-ylamino)-3-(2-hydroxyethylamino)phenyl]methanesulfonamide
InChI:
InChI=1S/C22H22N4O3S/c1-30(28,29)26-15-10-11-20(21(14-15)23-12-13-27)25-22-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)22/h2-11,14,23,26-27H,12-13H2,1H3,(H,24,25)
InChI Key:
YVQAPVVKNRCDRE-UHFFFAOYSA-N
SMILES:
OCCNc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
422.503g/mol
Monoisotopic Mass:
422.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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