AC1MDHQA
2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: Oprea1_126784|Oprea1_670524|AB00101713-01|SR-01000224677-1|2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-(2-(1,3-dioxoisoindolin-2-yl)propanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide|2-[2-(1,3-dioxobenzo[c]azolin-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxamide|2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.12527 g/mol |
| LogP | 2.595 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.12527 |
| Monoisotopic Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1023.1908 |
Chemical Identifiers
| CAS Number | 305375-69-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AC1MDHQA (CAS 305375-69-3), with molecular formula C21H21N3O4S and molecular weight 411.12527 g/mol. IUPAC: 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.