RefChem:505751

5-chloro-2-[(16-ethoxycarbonyl-14-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: EINECS 263-957-5|3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester|3H-Dibenz(f,ij)isoquinoline-1-carboxylic acid, 6-((4-chloro-2-sulfophenyl)amino)-2,7-dihydro-3-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-3-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-3-methyl-2,7-dioxo-, 1-ethyl ester|Ethyl 6-[(4-chloro-2-sulphophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate|2-(1-ethoxycarbonyl-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-ylamino)-5-chloro-benzenesulfonic acid|5-Chloro-2-[[[1-(ethoxycarbonyl)-3,7-dihydro-3-methyl-2,7-dioxo-2H-dibenz[f,ij]isoquinolin]-6-yl]amino]benzenesulfonic acid|5-Chloro-2-{[1-(ethoxycarbonyl)-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl]amino}benzene-1-sulfonic acid|5-chloro-2-{[16-(ethoxycarbonyl)-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-10-yl]amino}benzene-1-sulfonic acid|Ethyl 6-((4-chloro-2-sulphophenyl)amino)-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz(f,ij)isoquinoline-1-carboxylate

Molecular Formula	C26H19ClN2O7S
Molecular Weight	538.0601 g/mol
LogP	4.57
Topological Polar Surface Area	131.77 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	538.0601
Heavy Atoms	37
Complexity	1827.4

Chemical Identifiers

CAS Number	63149-10-0
SMILES	CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=CC(=C42)N(C1=O)C)NC5=C(C=C(C=C5)Cl)S(=O)(=O)O