Basic information
- Standard SMILES
CCOC(=O)C1=C(COCC2=CC(=O)N=N2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl- InChIKey
CWVCFQOTYFXKGT-UHFFFAOYSA-N- Molecular formula
- C22H22ClN3O6
- Average molar mass
- 459.9 g/mol
- Monoisotopic mass
- 459.1197131
Names & identifiers
- Preferred name
- 5-{[4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxymethyl}-3-pyrazolone
- IUPAC
- 5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-methyl-6-[(5-oxopyrazol-3-yl)methoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7273755CWVCFQOTYFXKGT-UHFFFAOYSA-N5-{[4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxymethyl}-3-pyrazolone
Database identifiers
- PubChem CID
- 20248136
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 907
Related reactions
1 records
Compound notes
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