AC1M04C4

5-(azepan-1-yl)-2-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile

Also Known As: (E)-5-(azepan-1-yl)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile|5-(azepan-1-yl)-2-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile|5-(azepan-1-yl)-2-[(E)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,3-oxazole-4-carbonitrile|5-(AZEPAN-1-YL)-2-{[(5E)-3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-1,3-OXAZOLE-4-CARBONITRILE

Molecular Formula	C24H26N4O4S2
Molecular Weight	498.13956 g/mol
LogP	4.38778
Topological Polar Surface Area	91.83 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	498.13956
Monoisotopic Mass	498.13956
Heavy Atoms	34
Complexity	1146.3271

Chemical Identifiers

CAS Number	845985-32-2
SMILES	COC1=C(C=C(C=C1)CCN2C(=O)/C(=C\C3=NC(=C(O3)N4CCCCCC4)C#N)/SC2=S)OC