CID5491030

5-chloro-2-[(16-ethoxycarbonyl-12-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzenesulfonic acid

Also Known As: 3H-Dibenz(f,ij)isoquinoline-1-carboxylic acid, 6-((4-chloro-2-sulfophenyl)amino)-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester|3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-((4-chloro-2-sulfophenyl)amino)-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester

Molecular Formula	C26H19ClN2O7S
Molecular Weight	538.0601 g/mol
LogP	4.86832
Topological Polar Surface Area	142.63 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	538.0601
Monoisotopic Mass	538.0601
Heavy Atoms	37
Complexity	1827.4315

Chemical Identifiers

CAS Number	72121-77-8
SMILES	CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=C(C(=C24)NC1=O)C)NC5=C(C=C(C=C5)Cl)S(=O)(=O)O