AC1MROS5
2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: Oprea1_612377|2-((3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-nitrophenyl)acetamide|2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide|2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
| Molecular Formula | C26H24N4O5S2 |
|---|---|
| Molecular Weight | 536.11884 g/mol |
| LogP | 5.3637 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.11884 |
| Monoisotopic Mass | 536.11884 |
| Heavy Atoms | 37 |
| Complexity | 1528.101 |
Chemical Identifiers
| CAS Number | 489403-85-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])SC5=C3CCCC5 |
Product Overview
AC1MROS5 (CAS 489403-85-2), with molecular formula C26H24N4O5S2 and molecular weight 536.11884 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
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