AC1LO940

(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Also Known As: AP-828/41100507|SR-01000111197-1|(E)-5-((2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione|(5E)-5-{[2,5-DIMETHYL-1-(PYRIDIN-3-YL)-1H-PYRROL-3-YL]METHYLIDENE}-1-(3-FLUOROPHENYL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE|(5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione|5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

Molecular Formula	C22H17FN4O2S
Molecular Weight	420.10562 g/mol
LogP	3.45954
Topological Polar Surface Area	67.23 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	420.10562
Monoisotopic Mass	420.10562
Heavy Atoms	30
Complexity	1217.1304

Chemical Identifiers

CAS Number	444552-36-7
SMILES	CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F