AC1OZ1Z6
methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[(2-aminoethyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(2-((2-aminoethyl)amino)-2-oxoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|Methyl 2-[(2-aminoethylcarbamoylformyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate|methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C14H19N3O4S |
|---|---|
| Molecular Weight | 325.10962 g/mol |
| LogP | 0.4269 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.10962 |
| Monoisotopic Mass | 325.10962 |
| Heavy Atoms | 22 |
| Complexity | 597.15356 |
Chemical Identifiers
| CAS Number | 903589-08-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCCN |
Product Overview
AC1OZ1Z6 (CAS 903589-08-2), with molecular formula C14H19N3O4S and molecular weight 325.10962 g/mol. IUPAC: methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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