Oprea1_024336
ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_024336|AF-399/15030060|ethyl 2-{[(acetyloxy)(phenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|{N-[3-(ethoxycarbonyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)]carbamoyl}phen ylmethyl acetate|ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.1297 g/mol |
| LogP | 4.0465 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1297 |
| Monoisotopic Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 874.42114 |
Chemical Identifiers
| CAS Number | 314261-24-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)OC(=O)C |
Product Overview
Oprea1_024336 (CAS 314261-24-0), with molecular formula C21H23NO5S and molecular weight 401.1297 g/mol. IUPAC: ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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