2-(2,4-Dioxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide
Basic information
- CAS
877656-68-3- Standard SMILES
NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21- InChIKey
QXEJJGOSPUEZIG-UHFFFAOYSA-N- Molecular formula
- C18H13N3O4
- Average molar mass
- 335.3 g/mol
- Monoisotopic mass
- 335.0906059
Names & identifiers
- Preferred name
- 2-(2,4-Dioxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide
- IUPAC
- 2-(2,4-dioxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide
Names & synonyms
877656-68-32-(2,4-dioxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide2-(2,4-dioxo-3-phenyl-3,4-dihydrobenzofuro[3,2-d]pyrimidin-1(2H)-yl)acetamideMLS000685292CHEMBL1579510DTXSID701327753HMS1655F10HMS2765N14AKOS024621150SMR000324054SR-01000019350SR-01000019350-1
Show more names
F2015-00112-(2,4-Dioxo-3-phenyl-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl)acetamide
Database identifiers
- CAS
877656-68-3- PubChem CID
- 7207919
- DTXSID
DTXSID701327753- ChEMBL
CHEMBL1579510
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Experimental & physicochemical properties
Solubility2.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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