AC1M2Y9E

methyl 4-[[2-[[4-ethyl-5-[2-(2-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: methyl 4-({[(4-ethyl-5-{2-[(2-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate|methyl 4-(2-((4-ethyl-5-(2-oxo-2-(o-tolylamino)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-[[2-[[4-ethyl-5-[2-(2-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Molecular Formula	C23H25N5O4S
Molecular Weight	467.16272 g/mol
LogP	3.30502
Topological Polar Surface Area	115.21 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	467.16272
Monoisotopic Mass	467.16272
Heavy Atoms	33
Complexity	1144.0084

Chemical Identifiers

CAS Number	792944-87-7
SMILES	CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CC(=O)NC3=CC=CC=C3C