AC1N3RIN
methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: Oprea1_106475|F0539-0323|methyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate|methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate|methyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-ethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C24H31N3O5S2 |
|---|---|
| Molecular Weight | 505.1705 g/mol |
| LogP | 3.7297 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.1705 |
| Monoisotopic Mass | 505.1705 |
| Heavy Atoms | 34 |
| Complexity | 1150.0162 |
Chemical Identifiers
| CAS Number | 486453-35-4 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 |
Product Overview
AC1N3RIN (CAS 486453-35-4), with molecular formula C24H31N3O5S2 and molecular weight 505.1705 g/mol. IUPAC: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
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