AC1LU0VR

2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N,N-diethylacetamide

Also Known As: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide|2-((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N,N-diethylacetamide|2-[3-(4-chlorophenyl)-4-oxo(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5- b]thiophen-2-ylthio)]-N,N-diethylacetamide|2-{[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}-N,N-diethylacetamide

Molecular Formula	C21H22ClN3O2S2
Molecular Weight	447.0842 g/mol
LogP	4.5498
Topological Polar Surface Area	55.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	447.0842
Monoisotopic Mass	447.0842
Heavy Atoms	29
Complexity	1117.642

Chemical Identifiers

CAS Number	613227-03-5
SMILES	CCN(CC)C(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)Cl