AC1MG3AT

methyl 2-[(4-benzyl-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate

Also Known As: AJ-292/41043158|methyl [(3-benzyl-6-isopropyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate|methyl {[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|methyl 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate|methyl 2-[(3-benzyl-4-oxo-6-propan-2-yl-6,8-dihydro-5H-pyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetate|methyl 2-[6-(methylethyl)-4-oxo-3-benzyl-3,5,6-trihydro-8H-pyrimidino[5',4'-4, 5]thiopheno[2,3-c]pyran-2-ylthio]acetate

Molecular Formula	C22H24N2O4S2
Molecular Weight	444.11774 g/mol
LogP	3.8687
Topological Polar Surface Area	70.42 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	444.11774
Monoisotopic Mass	444.11774
Heavy Atoms	30
Complexity	1121.6083

Chemical Identifiers

CAS Number	370577-15-4
SMILES	CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)CC4=CC=CC=C4