AC1NCPPR

ethyl 2-[[2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-((4-cyano-3-propylbenzo[4,5]imidazo[1,2-a]pyridin-1-yl)thio)acetamido)-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[[2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[2-(4-cyano-3-propyl(10-hydropyridino[1,6-a]benzimidazolylthio))acetyl amino]-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Molecular Formula	C29H30N4O3S2
Molecular Weight	546.1759 g/mol
LogP	6.40548
Topological Polar Surface Area	96.49 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	546.1759
Monoisotopic Mass	546.1759
Heavy Atoms	38
Complexity	1580.4668

Chemical Identifiers

CAS Number	862117-89-3
SMILES	CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(C5=C(S4)CCC(C5)C)C(=O)OCC)C#N