AC1LK6OB

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

Also Known As: Methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate|methyl {[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate|METHYL 2-((3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)THIO)ACETATE|methyl 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate|[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl]acetic acid methyl ester|methyl 2-[3-(4-chlorophenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d ]pyrimidin-2-ylthio]acetate|METHYL 2-{[4-(4-CHLOROPHENYL)-3-OXO-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),5-TRIEN-5-YL]SULFANYL}ACETATE|methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate|methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.02,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate|Methyl2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate

Molecular Formula	C19H17ClN2O3S2
Molecular Weight	420.03693 g/mol
LogP	4.2445
Topological Polar Surface Area	61.19 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	420.03693
Monoisotopic Mass	420.03693
Heavy Atoms	27
Complexity	1073.2336

Chemical Identifiers

CAS Number	613227-82-0
SMILES	COC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)Cl