Basic information
- CAS
732289-79-1- Standard SMILES
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1- InChIKey
QHUBTQNYRHKDLA-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3O5
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1091484
Names & identifiers
- Preferred name
- [2-(4-Chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
- IUPAC
- [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
Names & synonyms
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylateMLS002252365CHEMBL1356226DTXSID001321942HMS3056C04AKOS033443126732289-79-1SMR001314712Z158170012-(4-Chloro-2-methoxy-5-methylanilino)-2-oxoethyl 6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxylate
Database identifiers
- CAS
732289-79-1- PubChem CID
- 3914733
- DTXSID
DTXSID001321942- ChEMBL
CHEMBL1356226
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 680
Experimental & physicochemical properties
Solubility18.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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