N-[(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
Basic information
- CAS
579443-40-6- Standard SMILES
Cc1nc2ccccc2c(=O)n1OCC(=O)NN=Cc1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3- InChIKey
DQAXRTOGFQEVLR-UHFFFAOYSA-N- Molecular formula
- C24H21N5O7
- Average molar mass
- 491.5 g/mol
Names & identifiers
- Preferred name
- N-[(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
- IUPAC
- N-[(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
- English name
- Acetic acid, [(2-methyl-4-oxo-3(4H)-quinazolinyl)oxy]-, [(6,7,8,9-tetrahydro-2-hydroxy-3-nitro-1-dibenzofuranyl)methylene]hydrazide (9CI)
- Molecular formula
- C24H21N5O7
- Molecular weight
- 491.45
Names & synonyms
Acetic acid, 2-[(2-methyl-4-oxo-3(4H)-quinazolinyl)oxy]-, 2-[(6,7,8,9-tetrahydro-2-hydroxy-3-nitro-1-dibenzofuranyl)methylene]hydrazideAcetic acid, [(2-methyl-4-oxo-3(4H)-quinazolinyl)oxy]-, [(6,7,8,9-tetrahydro-2-hydroxy-3-nitro-1-dibenzofuranyl)methylene]hydrazide (9CI)
Database identifiers
- CAS
579443-40-6
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 936
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 5.33 · 5.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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