AC1MMKEK

1-[3-(1,1-dioxothiolan-3-yl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone

Also Known As: ChemDiv3_007329|IDI1_025239|NCGC00066894-02|NCGC00177738-01|AF-399/41980871|1-[3-(1,1-dioxothiolan-3-yl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone|SR-01000116033-1|BRD-A04394384-001-01-4|F1396-0081|1-(3-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)ethanone|1-(3-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)ethan-1-one|1-acetyl-3-(1,1-dioxidotetrahydro-3-thienyl)-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidine|1-acetyl-3-(1,1-dioxidotetrahydrothien-3-yl)-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidine|1-acetyl-3-(1,1-dioxothiolan-3-yl)-1,2,3,4,5,6,7,8-octahydrobenzo[b]thiopheno[ 2,3-d]pyrimidine

Molecular Formula	C16H22N2O3S2
Molecular Weight	354.10718 g/mol
LogP	1.94
Topological Polar Surface Area	57.69 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	354.10718
Monoisotopic Mass	354.10718
Heavy Atoms	23
Complexity	753.62006

Chemical Identifiers

CAS Number	618403-06-8
SMILES	CC(=O)N1CN(CC2=C1SC3=C2CCCC3)C4CCS(=O)(=O)C4