Dimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)-4-methoxy-benzyl]malonate
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Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(OC)c(COC(=O)Nc2ccc(Cl)cc2Cl)c1)C(=O)OC- InChIKey
CTQHTCOMMPMMTQ-UHFFFAOYSA-N- Molecular formula
- C21H21Cl2NO7
- Average molar mass
- 470.3 g/mol
- Monoisotopic mass
- 469.0695074
Names & identifiers
- Preferred name
- Dimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)-4-methoxy-benzyl]malonate
- IUPAC
- dimethyl 2-[[3-[(2,4-dichlorophenyl)carbamoyloxymethyl]-4-methoxyphenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810388CTQHTCOMMPMMTQ-UHFFFAOYSA-NDimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]-oxy}methyl)-4-methoxy-benzyl]malonateDimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)-4-methoxy-benzyl]malonate
Database identifiers
- PubChem CID
- 57719824
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
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Related reactions
2 records
Compound notes
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