2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(3-fluorophenyl)acetamide
Basic information
- CAS
5345-72-2- Standard SMILES
O=C(COc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cccc1[N+](=O)[O-])Nc1cccc(F)c1- InChIKey
JXGIKOBMFNHKBK-UHFFFAOYSA-N- Molecular formula
- C23H16FN5O6
- Average molar mass
- 477.4 g/mol
- Monoisotopic mass
- 477.10846141
Names & identifiers
- Preferred name
- 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(3-fluorophenyl)acetamide
- IUPAC
- 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(3-fluorophenyl)acetamide
Names & synonyms
5345-72-2AC1NPOW1DTXSID104099892-(2-{[(2,4-Dioxo-1,4-dihydroquinazolin-3(2H)-yl)imino]methyl}-6-nitrophenoxy)-N-(3-fluorophenyl)acetamide
Database identifiers
- CAS
5345-72-2- PubChem CID
- 5207656
- DTXSID
DTXSID10409989
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 851
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