[2-(2-Methoxy-4-nitroanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
Basic information
- CAS
730244-69-6- Standard SMILES
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1- InChIKey
QLNGFAMVPYFIQP-UHFFFAOYSA-N- Molecular formula
- C20H18N4O7
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.11754893
Names & identifiers
- Preferred name
- [2-(2-Methoxy-4-nitroanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
- IUPAC
- [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
Names & synonyms
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylateMLS002248947CHEMBL2137926DTXSID201319939AKOS033443157730244-69-6SMR001316402Z158172822-(2-Methoxy-4-nitroanilino)-2-oxoethyl 6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxylate
Database identifiers
- CAS
730244-69-6- PubChem CID
- 3906343
- DTXSID
DTXSID201319939- ChEMBL
CHEMBL2137926
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 730
Experimental & physicochemical properties
Solubility37.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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