AC1MESS8

ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Also Known As: ChemDiv1_002373|Oprea1_133812|Oprea1_628190|HMS593L19|BAS 01108049|AK-777/37037018|SR-01000423331-1|ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate|ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate|ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|ethyl 6-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|ethyl 6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihy dropyridine-3-carboxylate

Molecular Formula	C26H30N2O3S2
Molecular Weight	482.1698 g/mol
LogP	5.52588
Topological Polar Surface Area	79.19 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	482.1698
Monoisotopic Mass	482.1698
Heavy Atoms	33
Complexity	1028.5011

Chemical Identifiers

CAS Number	313379-45-2
SMILES	CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)C