KW-3635 free acid

(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid

Also Known As: KW-3635 free acid|KW 3635|Dibenz(b,E)oxepin-2-carboxylic acid, 11-(2-(5,6-dimethyl-1H-benzimidazol-1-yl)ethylidene)-6,11-dihydro-, (E)-|(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid|(2E)-2-[2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)ethylidene]-9-oxatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylic acid|(E)-11-[2-[5,6-Dimethyl-1H-benzimidazol-1-yl]ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid|11-[2-(5,6-Dimethyl-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid (0.5H2O)|11-[2-(5,6-Dimethyl-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid (H2O)

Molecular Formula	C26H22N2O3
Molecular Weight	410.16306 g/mol
LogP	5.37564
Topological Polar Surface Area	64.35 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	410.16306
Monoisotopic Mass	410.16306
Heavy Atoms	31
Complexity	1364.5924

Chemical Identifiers

CAS Number	127166-39-6
SMILES	CC1=CC2=C(C=C1C)N(C=N2)C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O