Basic information
- Standard SMILES
CCOC(=O)C1=C(COCCNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)NC(C)=C(C(=O)OC)C1c1ccccc1Cl- InChIKey
KOHMLUDLOFJRBM-UHFFFAOYSA-N- Molecular formula
- C32H34Cl2N4O8
- Average molar mass
- 673.5 g/mol
- Monoisotopic mass
- 672.1753694
Names & identifiers
- Preferred name
- 2-(2-{2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-acetylamino}-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
- IUPAC
- 3-O-ethyl 5-O-methyl 2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL5481234KOHMLUDLOFJRBM-UHFFFAOYSA-N2-(2-{2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-acetylamino}-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
Database identifiers
- PubChem CID
- 10439482
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
1 records
Compound notes
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