Oprea1_168884
methyl 4-(4-ethylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: Oprea1_168884|AK-968/15361860|methyl 4-(4-ethylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate|methyl 4-(4-ethylphenyl)-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate|methyl 4-(4-ethylphenyl)-2-(2-phenylthioacetylamino)thiophene-3-carboxylate|methyl 4-(4-ethylphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H21NO3S2 |
|---|---|
| Molecular Weight | 411.09628 g/mol |
| LogP | 5.4949 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.09628 |
| Monoisotopic Mass | 411.09628 |
| Heavy Atoms | 28 |
| Complexity | 949.67303 |
Chemical Identifiers
| CAS Number | 444906-71-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=C3 |
Product Overview
Oprea1_168884 (CAS 444906-71-2), with molecular formula C22H21NO3S2 and molecular weight 411.09628 g/mol. IUPAC: methyl 4-(4-ethylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate.
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