MLS000118628

ethyl 2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

Also Known As: F0665-0463|ethyl 2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate|ethyl 2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester|2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester|ethyl 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate|ethyl 2-[[4-(2-methylphenyl)-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Molecular Formula	C21H20N4O3S2
Molecular Weight	440.0977 g/mol
LogP	3.65562
Topological Polar Surface Area	79.01 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	440.0977
Monoisotopic Mass	440.0977
Heavy Atoms	30
Complexity	1258.6106

Chemical Identifiers

CAS Number	847403-06-9
SMILES	CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2C)CN3C4=CC=CC=C4SC3=O