AC1NOV19
2-(8-ethoxy-2-oxochromen-3-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: Oprea1_465900|KS-00003JDK|BS-7314|2-(8-ethoxy-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|AH-034/11696219|2-(8-ethoxy-2-oxochromen-3-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one|5-(8-ethoxy-2-oxo-2H-chromen-3-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C21H18N2O4S |
|---|---|
| Molecular Weight | 394.09872 g/mol |
| LogP | 4.0355 |
| Topological Polar Surface Area | 85.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.09872 |
| Monoisotopic Mass | 394.09872 |
| Heavy Atoms | 28 |
| Complexity | 1332.2299 |
Chemical Identifiers
| CAS Number | 313985-92-1 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 |
Product Overview
AC1NOV19 (CAS 313985-92-1), with molecular formula C21H18N2O4S and molecular weight 394.09872 g/mol. IUPAC: 2-(8-ethoxy-2-oxochromen-3-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
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