RefChem:105815

2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Also Known As: 7-Benzothiazolesulfonic acid, 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|2-(2-(1,3-Dioxo-2-indanyl)-6-quinolyl)-6-methyl-7-benzothiazolesulfonic acid, compd. with triethanolamine (1:1)|7-Benzothiazolesulfonic acid, 2-(2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)quinolin-6-yl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (1:1)|2-[2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)|2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)quinolin-6-yl]-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|2-[bis(2-hydroxyethyl)amino]ethanol; 2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Molecular Formula	C32H31N3O8S2
Molecular Weight	649.1553 g/mol
LogP	3.49472
Topological Polar Surface Area	215.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	649.1553
Monoisotopic Mass	649.1553
Heavy Atoms	45
Complexity	999.0

Chemical Identifiers

CAS Number	71832-69-4
SMILES	CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=CC=CC=C6C5=O)S(=O)(=O)O.C(CO)N(CCO)CCO
InChIKey	JADMHUDNCZNLEW-UHFFFAOYSA-N