AC1MWGPX

2-[(12-ethyl-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone

Also Known As: 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-fluorophenyl)ethanone|2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-fluorophenyl)ethanone

Molecular Formula	C21H21FN2O2S3
Molecular Weight	448.07492 g/mol
LogP	5.7687
Topological Polar Surface Area	52.08 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	448.07492
Monoisotopic Mass	448.07492
Heavy Atoms	29
Complexity	1067.9686

Chemical Identifiers

CAS Number	799799-72-7
SMILES	CCC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC(=O)C4=CC=C(C=C4)F)C