Basic information
- Standard SMILES
CCOC(=O)c1cnc(OC)nc1Nc1cc(OCc2c(OC)ccc(F)c2F)c(OC)cc1Cl- InChIKey
MGBDWNDMEBOTFS-UHFFFAOYSA-N- Molecular formula
- C23H22ClF2N3O6
- Average molar mass
- 509.9 g/mol
- Monoisotopic mass
- 509.1165194
Names & identifiers
- Preferred name
- Ethyl 4-[2-chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-4-methoxyphenylamino]-2-methoxypyrimidine-5-carboxylate
- IUPAC
- ethyl 4-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyanilino]-2-methoxypyrimidine-5-carboxylate
Names & synonyms
SCHEMBL3110352MGBDWNDMEBOTFS-UHFFFAOYSA-Nethyl 4-[2-chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-4-methoxyphenylamino]-2-methoxypyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 68515564
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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