AC1LY8DI
ethyl 2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 02819189|ethyl 2-(3-(3,4,5-trimethoxybenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-({[(3,4,5-trimethoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H26N2O6S2 |
|---|---|
| Molecular Weight | 478.12323 g/mol |
| LogP | 3.9562 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.12323 |
| Monoisotopic Mass | 478.12323 |
| Heavy Atoms | 32 |
| Complexity | 1008.66376 |
Chemical Identifiers
| CAS Number | 364616-76-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
AC1LY8DI (CAS 364616-76-2), with molecular formula C22H26N2O6S2 and molecular weight 478.12323 g/mol. IUPAC: ethyl 2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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