AC1NWD2K

2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one

Also Known As: BAS 13119581|AK-968/13408239|2-(1,3-Benzothiazol-2-yl)-4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one|(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one|(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-methylphenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one|(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one|(E)-1-(benzo[d]thiazol-2-yl)-4-(1-(o-tolylamino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one|1-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(2-methylphenyl)ethanimidoyl]-3-(trifluoromethyl)-1H-pyrazol-5-ol|2-(1,3-BENZOTHIAZOL-2-YL)-4-[(E)-1-(2-TOLUIDINO)ETHYLIDENE]-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE|2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one|2-(1,3-benzothiazol-2-yl)-4-[1-(2-toluidino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one|2-(1,3-benzothiazol-2-yl)-4-{1-[(2-methylphenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Molecular Formula	C20H15F3N4OS
Molecular Weight	416.09186 g/mol
LogP	5.24322
Topological Polar Surface Area	63.04 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	416.09186
Monoisotopic Mass	416.09186
Heavy Atoms	29
Complexity	1264.0403

Chemical Identifiers

CAS Number	353774-34-2
SMILES	CC1=CC=CC=C1N=C(C)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F