AC1NRAU9

6-(4-benzylpiperidin-1-yl)-5-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile

Also Known As: 5-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxidanylidene-6-[4-(phenylmethyl)piperidin-1-yl]pyridine-3-carbonitrile|5-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-1,4-dimethyl-2-oxo-6-[4-(phenylmethyl)-1-piperidinyl]-3-pyridinecarbonitrile|6-(4-benzylpiperidin-1-yl)-5-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile

Molecular Formula	C34H36N4O4S2
Molecular Weight	628.2178 g/mol
LogP	5.4856
Topological Polar Surface Area	87.8 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	628.2178
Monoisotopic Mass	628.2178
Heavy Atoms	44
Complexity	1702.8325

Chemical Identifiers

CAS Number	7063-24-3
SMILES	CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC3=CC(=C(C=C3)OC)OC)N4CCC(CC4)CC5=CC=CC=C5)C)C#N