AC1N2ZED

diethyl 5-[2-[[5-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate

Also Known As: Oprea1_855182|SR-01000567384-1|F0520-3055|diethyl 5-[2-[[5-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate|2,4-DIETHYL 5-{2-[(5-{[2-(4-CHLOROPHENOXY)ACETAMIDO]METHYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]PROPANAMIDO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE|diethyl 5-(2-((5-((2-(4-chlorophenoxy)acetamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanamido)-3-methylthiophene-2,4-dicarboxylate|diethyl 5-[(2-{[5-({[(4-chlorophenoxy)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}propanoyl)amino]-3-methylthiophene-2,4-dicarboxylate

Molecular Formula	C26H30ClN5O7S2
Molecular Weight	623.1275 g/mol
LogP	4.00632
Topological Polar Surface Area	150.74 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	13
Exact Mass	623.1275
Monoisotopic Mass	623.1275
Heavy Atoms	41
Complexity	1407.8352

Chemical Identifiers

CAS Number	393816-47-2
SMILES	CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)COC3=CC=C(C=C3)Cl