AC1NRF25

4-[5-[[5-cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Also Known As: 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid|4-[5-[[5-cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Molecular Formula	C28H30FN5O4S2
Molecular Weight	583.1723 g/mol
LogP	3.9701
Topological Polar Surface Area	109.88 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	583.1723
Monoisotopic Mass	583.1723
Heavy Atoms	40
Complexity	1474.2639

Chemical Identifiers

CAS Number	7064-49-5
SMILES	CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCC(=O)O)N3CCN(CC3)C4=CC=CC=C4F