AC1LOZNJ
ethyl 2-[3-(azepan-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: starbld0036249|Oprea1_178253|Oprea1_334276|BAS 00311445|AH-262/08459013|ETHYL 2-[3-(AZEPAN-1-YL)PROPANAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|Ethyl 2-(3-(azepan-1-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-{[3-(azepan-1-yl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[3-(azepan-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[3-(azepan-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate|ethyl 2-{[3-(1-azepanyl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H30N2O3S |
|---|---|
| Molecular Weight | 378.19772 g/mol |
| LogP | 4.0082 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.19772 |
| Monoisotopic Mass | 378.19772 |
| Heavy Atoms | 26 |
| Complexity | 633.246 |
Chemical Identifiers
| CAS Number | 297761-75-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3CCCCCC3 |
Product Overview
AC1LOZNJ (CAS 297761-75-2), with molecular formula C20H30N2O3S and molecular weight 378.19772 g/mol. IUPAC: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.