{4-[6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]phenyl}-acetic acid, methyl ester
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Basic information
- Standard SMILES
COC(=O)Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1- InChIKey
NUSXVSHQHATUGJ-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N4O3
- Average molar mass
- 469.3 g/mol
- Monoisotopic mass
- 468.0755958
Names & identifiers
- Preferred name
- {4-[6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]phenyl}-acetic acid, methyl ester
- IUPAC
- methyl 2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]acetate
Names & synonyms
SCHEMBL6273252NUSXVSHQHATUGJ-UHFFFAOYSA-N{4-[6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]phenyl}-acetic acid, methyl ester
Database identifiers
- PubChem CID
- 11619734
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 718
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Related reactions
2 records
Compound notes
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