AC1NPI9H
ethyl 2-[[2-(cycloheptylamino)acetyl]carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Also Known As: ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate|ethyl 2-[[2-(cycloheptylamino)acetyl]carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate|ethyl 2-{[(N-cycloheptylglycyl)carbamothioyl]amino}-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C25H33N3O5S2 |
|---|---|
| Molecular Weight | 519.18616 g/mol |
| LogP | 4.7344 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.18616 |
| Monoisotopic Mass | 519.18616 |
| Heavy Atoms | 35 |
| Complexity | 1032.1047 |
Chemical Identifiers
| CAS Number | 730252-46-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC(=O)CNC3CCCCCC3 |
Product Overview
AC1NPI9H (CAS 730252-46-7), with molecular formula C25H33N3O5S2 and molecular weight 519.18616 g/mol. IUPAC: ethyl 2-[[2-(cycloheptylamino)acetyl]carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
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