AC1LKQUL
methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate
Also Known As: Oprea1_815696|BAS 04435479|AK-968/37173207|SR-01000447417-1|methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]-2-thiophenecarboxylate|methyl 4-cyano-3-methyl-5-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}thiophene-2-carboxylate|methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate|methyl 4-cyano-3-methyl-5-(3,4,5-trimethoxybenzamido)thiophene-2-carboxylate|methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzene)amido]thiophene-2-carboxylate
| Molecular Formula | C18H18N2O6S |
|---|---|
| Molecular Weight | 390.08856 g/mol |
| LogP | 2.9929 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.08856 |
| Monoisotopic Mass | 390.08856 |
| Heavy Atoms | 27 |
| Complexity | 903.6587 |
Chemical Identifiers
| CAS Number | 354550-04-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC |
Product Overview
AC1LKQUL (CAS 354550-04-2), with molecular formula C18H18N2O6S and molecular weight 390.08856 g/mol. IUPAC: methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate.