C20H20N2O3S2

methyl 4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Also Known As: BAS 02944385|F0829-0013|SR-01000445731-1|methyl 4-(((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate|methyl 4-[({4-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)methyl]benzoate|methyl 4-[(3-methyl-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidi n-2-ylthio)methyl]benzoate|methyl 4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate|methyl 4-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate|methyl p-[(3-methyl-4-oxo-9-thia-1,3-diaza-3,4,5,6,7,8-hexahydro-2-fluorenylthio)methyl]benzoate

Molecular Formula	C20H20N2O3S2
Molecular Weight	400.09152 g/mol
LogP	3.9527
Topological Polar Surface Area	61.19 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	400.09152
Monoisotopic Mass	400.09152
Heavy Atoms	27
Complexity	1067.5057

Chemical Identifiers

CAS Number	315239-33-9
SMILES	CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)OC)SC4=C2CCCC4