AC1N17HV

2-[2,5-dimethyl-3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile

Also Known As: 2-(2,5-dimethyl-3-((1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile|2-[2,5-dimethyl-3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile

Molecular Formula	C19H18N4O2S2
Molecular Weight	398.08713 g/mol
LogP	2.90066
Topological Polar Surface Area	78.13 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	398.08713
Monoisotopic Mass	398.08713
Heavy Atoms	27
Complexity	1082.3586

Chemical Identifiers

CAS Number	673441-92-4
SMILES	CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=C3C(=O)NC(=S)N(C3=O)C