CBMicro_038483
2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid
Also Known As: CBMicro_038483|[4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid|BIM-0038439.P001|AH-487/13290028|SR-01000224130-1|[4-(4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid|2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08307 g/mol |
| LogP | 2.9938 |
| Topological Polar Surface Area | 92.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.08307 |
| Monoisotopic Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 1004.32825 |
Chemical Identifiers
| CAS Number | 5948-70-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(C=C4)OCC(=O)O |
Product Overview
CBMicro_038483 (CAS 5948-70-9), with molecular formula C18H16N2O4S and molecular weight 356.08307 g/mol. IUPAC: 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid.
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