AC1MGTZ8
ethyl 2-[[2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[[2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-((3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[({[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C25H24N4O6S2 |
|---|---|
| Molecular Weight | 540.1137 g/mol |
| LogP | 4.42238 |
| Topological Polar Surface Area | 151.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.1137 |
| Monoisotopic Mass | 540.1137 |
| Heavy Atoms | 37 |
| Complexity | 1343.1321 |
Chemical Identifiers
| CAS Number | 693233-29-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(CC(=O)N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N |
Product Overview
AC1MGTZ8 (CAS 693233-29-3), with molecular formula C25H24N4O6S2 and molecular weight 540.1137 g/mol. IUPAC: ethyl 2-[[2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.