MLS000331009

ethyl 4-methyl-2-[(4E)-3-methyl-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]-1,3-thiazole-5-carboxylate

Also Known As: AN-648/41078465|(E)-ethyl 4-methyl-2-(3-methyl-5-oxo-4-(4-(prop-2-yn-1-yloxy)benzylidene)-4,5-dihydro-1H-pyrazol-1-yl)thiazole-5-carboxylate|4-Methyl-2-{3-methyl-5-oxo-4-[1-(4-prop-2-ynyloxy-phenyl)-meth-(E)-ylidene]-4,5-dihydro-pyrazol-1-yl}-thiazole-5-carboxylic acid ethyl ester|ethyl 4-methyl-2-[(4E)-3-methyl-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]-1,3-thiazole-5-carboxylate|ethyl 4-methyl-2-{(4E)-3-methyl-5-oxo-4-[4-(prop-2-yn-1-yloxy)benzylidene]-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazole-5-carboxylate|ethyl 4-methyl-2-{3-methyl-5-oxo-4-[4-(2-propynyloxy)benzylidene]-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazole-5-carboxylate

Molecular Formula	C21H19N3O4S
Molecular Weight	409.10962 g/mol
LogP	3.44632
Topological Polar Surface Area	81.09 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	409.10962
Monoisotopic Mass	409.10962
Heavy Atoms	29
Complexity	1044.8688

Chemical Identifiers

CAS Number	445429-60-7
SMILES	CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC#C)/C(=N2)C)C