Bionet1_004857
methyl 3-[2-[2-(cyclopropylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: Bionet1_004857|HMS582O19|KS-0000332Y|1R-1303|methyl 3-{2-[2-(cyclopropylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate|methyl 3-[2-[2-(cyclopropylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate|methyl 3-{2-[(cyclopropylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate|methyl3-{2-[(cyclopropylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
| Molecular Formula | C19H16N2O4S |
|---|---|
| Molecular Weight | 368.08307 g/mol |
| LogP | 2.9399 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.08307 |
| Monoisotopic Mass | 368.08307 |
| Heavy Atoms | 26 |
| Complexity | 1029.2701 |
Chemical Identifiers
| CAS Number | 477872-71-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4CC4 |
Product Overview
Bionet1_004857 (CAS 477872-71-2), with molecular formula C19H16N2O4S and molecular weight 368.08307 g/mol. IUPAC: methyl 3-[2-[2-(cyclopropylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
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