AC1MMQZM

methyl 2-[[7-(4-chlorophenyl)-12-methyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate

Also Known As: methyl {[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate|methyl 2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate

Molecular Formula	C21H19ClN4O3S2
Molecular Weight	474.05872 g/mol
LogP	4.1382
Topological Polar Surface Area	78.49 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	474.05872
Monoisotopic Mass	474.05872
Heavy Atoms	31
Complexity	1373.7887

Chemical Identifiers

CAS Number	577985-36-5
SMILES	CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)OC)N(C3=O)C5=CC=C(C=C5)Cl