ChemDiv1_005140

methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Also Known As: ChemDiv1_005140|HMS601J14|AB00685349-01|SR-01000446499-1|F0863-0623|methyl 2-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-(2-(4-hydro-1,2,4-triazolo[3,4-b]benzothiazol-3-ylthio)acetylamino)-4 ,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylate|methyl 2-(2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Molecular Formula	C19H16N4O3S3
Molecular Weight	444.03845 g/mol
LogP	4.0116
Topological Polar Surface Area	85.59 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	444.03845
Monoisotopic Mass	444.03845
Heavy Atoms	29
Complexity	1256.5776

Chemical Identifiers

CAS Number	314261-40-0
SMILES	COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4