AC1MDGHX

methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Also Known As: Oprea1_630858|Oprea1_670084|methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-(2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|METHYL 2-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-3-METHYLBUTANAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE|methyl 2-[2-(1,3-dioxobenzo[c]azolin-2-yl)-3-methylbutanoylamino]-4,5,6-trihyd rocyclopenta[2,1-b]thiophene-3-carboxylate

Molecular Formula	C22H22N2O5S
Molecular Weight	426.12494 g/mol
LogP	3.2827
Topological Polar Surface Area	92.78 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	426.12494
Monoisotopic Mass	426.12494
Heavy Atoms	30
Complexity	1036.4753

Chemical Identifiers

CAS Number	369402-72-2
SMILES	CC(C)C(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC)N3C(=O)C4=CC=CC=C4C3=O