Basic information
- Standard SMILES
COc1ccc(Sc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2Nc2ncnc3ncccc23)cc1- InChIKey
KEULGWPKHMJJTB-UHFFFAOYSA-N- Molecular formula
- C28H20N6O2S
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.13684508
Names & identifiers
- Preferred name
- N-(4-Cyano-phenyl)-4-(4-methoxy-phenylsulfanyl)-3-(pyrido[2,3-d]pyrimidin-4-ylamino)-benzamide
- IUPAC
- N-(4-cyanophenyl)-4-(4-methoxyphenyl)sulfanyl-3-(pyrido[2,3-d]pyrimidin-4-ylamino)benzamide
Names & synonyms
SCHEMBL1454685KEULGWPKHMJJTB-UHFFFAOYSA-NN-(4-Cyano-phenyl)-4-(4-methoxy-phenylsulfanyl)-3-(pyrido[2,3-d]pyrimidin-4-ylamino)-benzamide
Database identifiers
- PubChem CID
- 67040327
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 791
Related reactions
2 records
Compound notes
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