AC1NWVGF
methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/13027640|methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|(E)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-((2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)prop-2-enoylamino)-6-ethyl- 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H23NO5S |
|---|---|
| Molecular Weight | 413.1297 g/mol |
| LogP | 4.4302 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1297 |
| Monoisotopic Mass | 413.1297 |
| Heavy Atoms | 29 |
| Complexity | 977.8225 |
Chemical Identifiers
| CAS Number | 543715-83-9 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
AC1NWVGF (CAS 543715-83-9), with molecular formula C22H23NO5S and molecular weight 413.1297 g/mol. IUPAC: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.