AC1LUAN5
ethyl 2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-({[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-((3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H25N3O4S3 |
|---|---|
| Molecular Weight | 491.1007 g/mol |
| LogP | 4.45964 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.1007 |
| Monoisotopic Mass | 491.1007 |
| Heavy Atoms | 32 |
| Complexity | 1271.9092 |
Chemical Identifiers
| CAS Number | 494826-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3C |
Product Overview
AC1LUAN5 (CAS 494826-07-2), with molecular formula C22H25N3O4S3 and molecular weight 491.1007 g/mol. IUPAC: ethyl 2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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