AC1NRD0R

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

Also Known As: 5-[[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile|5-{[3-(1,1-Dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Molecular Formula	C27H28FN5O4S3
Molecular Weight	601.1287 g/mol
LogP	2.9023
Topological Polar Surface Area	106.72 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	601.1287
Monoisotopic Mass	601.1287
Heavy Atoms	40
Complexity	1638.336

Chemical Identifiers

CAS Number	7063-89-0
SMILES	CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)C3CCS(=O)(=O)C3)N4CCN(CC4)C5=CC=CC=C5F