AC1LKAQS
methyl 2-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: KS-00003YAX|AN-329/41770226|methyl 2-({[(4-methoxyphenoxy)acetyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[({[(4-methoxyphenoxy)acetyl]amino}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[({[(4-methoxyphenoxy)acetyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H22N2O5S2 |
|---|---|
| Molecular Weight | 434.09702 g/mol |
| LogP | 3.3141 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.09702 |
| Monoisotopic Mass | 434.09702 |
| Heavy Atoms | 29 |
| Complexity | 908.3405 |
Chemical Identifiers
| CAS Number | 649565-75-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
AC1LKAQS (CAS 649565-75-3), with molecular formula C20H22N2O5S2 and molecular weight 434.09702 g/mol. IUPAC: methyl 2-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.