[2-(2-Methoxyanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
Basic information
- CAS
742117-81-3- Standard SMILES
COc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1- InChIKey
WPQQTUZEEWOCJD-UHFFFAOYSA-N- Molecular formula
- C20H19N3O5
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.13247072
Names & identifiers
- Preferred name
- [2-(2-Methoxyanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
- IUPAC
- [2-(2-methoxyanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
Names & synonyms
[2-(2-methoxyanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylateMLS002245807CHEMBL1881143DTXSID301326315HMS3082B07AKOS033443146742117-81-3SMR001309442Z158171282-(2-Methoxyanilino)-2-oxoethyl 6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxylate
Database identifiers
- CAS
742117-81-3- PubChem CID
- 3937867
- DTXSID
DTXSID301326315- ChEMBL
CHEMBL1881143
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
Solubility56.1 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…