AC1NRDB9

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

Also Known As: 6-(Azepan-1-yl)-1-ethyl-4-methyl-5-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile|6-(azepan-1-yl)-1-ethyl-4-methyl-5-[[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile

Molecular Formula	C27H30N4O2S2
Molecular Weight	506.18103 g/mol
LogP	5.13852
Topological Polar Surface Area	69.34 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	506.18103
Monoisotopic Mass	506.18103
Heavy Atoms	35
Complexity	1280.2302

Chemical Identifiers

CAS Number	7063-97-0
SMILES	CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=C(C=C3)C)N4CCCCCC4