AC1NZJCB

methyl 2-[[2-(1,3-benzothiazol-2-yl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylideneamino]-4,5-dimethoxybenzoate

Also Known As: (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate|methyl 2-({(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate|METHYL 2-({[(4E)-1-(1,3-BENZOTHIAZOL-2-YL)-5-OXO-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)-4,5-DIMETHOXYBENZOATE|methyl 2-({[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-2H-pyrazol-4-yl]methylidene}amino)-4,5-dimethoxybenzoate|methyl 2-[[(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]amino]-4,5-dimethoxybenzoate|methyl 2-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]methylamino]-4,5-dimethoxybenzoate

Molecular Formula	C27H22N4O5S
Molecular Weight	514.1311 g/mol
LogP	4.9967
Topological Polar Surface Area	107.8 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	514.1311
Monoisotopic Mass	514.1311
Heavy Atoms	37
Complexity	1651.523

Chemical Identifiers

CAS Number	444768-89-2
SMILES	COC1=C(C=C(C(=C1)C(=O)OC)N=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC