AC1LKQE9
methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_136669|BAS 06653624|AK-968/40728989|F0882-1250|methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|METHYL 2-(3,4,5-TRIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|methyl 2-(3,4,5-trimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-[(3,4,5-trimethoxyphenyl)carbonylamino]-4,5,6,7,8-pentahydrocyclohept a[2,1-b]thiophene-3-carboxylate|methyl 2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H25NO6S |
|---|---|
| Molecular Weight | 419.14026 g/mol |
| LogP | 4.0817 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.14026 |
| Monoisotopic Mass | 419.14026 |
| Heavy Atoms | 29 |
| Complexity | 895.1305 |
Chemical Identifiers
| CAS Number | 445016-26-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC |
Product Overview
AC1LKQE9 (CAS 445016-26-2), with molecular formula C21H25NO6S and molecular weight 419.14026 g/mol. IUPAC: methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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