Basic information
- Standard SMILES
COC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(Cl)c2)c1C(=O)OC- InChIKey
SGOMYLSSZKRPPU-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO6
- Average molar mass
- 415.8 g/mol
Names & identifiers
- Preferred name
- 1-(2-Chloro-4-pyridyl)-2,3-bis(methoxycarbonyl)-6,7-dimethoxynaphthalene
- IUPAC
- dimethyl 1-(2-chloro-4-pyridinyl)-6,7-dimethoxynaphthalene-2,3-dicarboxylate
Names & synonyms
SCHEMBL7747219SGOMYLSSZKRPPU-UHFFFAOYSA-N1-(2-chloro-4-pyridyl)-2,3-bis(methoxycarbonyl)-6,7-dimethoxynaphthalene
Database identifiers
- PubChem CID
- 22007331
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
Related reactions
4 records
Compound notes
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