Basic information
- Standard SMILES
COc1ccc(Nc2nc(-c3ccc(C(=O)NCCc4ccn(C)c(=O)c4)cc3)nc3scnc23)cc1OC- InChIKey
KNKTYGWBQDCVIY-UHFFFAOYSA-N- Molecular formula
- C28H26N6O4S
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.17362451
Names & identifiers
- Preferred name
- 4-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)-N-(2-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)ethyl)benzamide
- IUPAC
- 4-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-N-[2-(1-methyl-2-oxo-4-pyridinyl)ethyl]benzamide
Names & synonyms
SCHEMBL12802813KNKTYGWBQDCVIY-UHFFFAOYSA-N4-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)-N-(2-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)ethyl)benzamide
Database identifiers
- PubChem CID
- 66548959
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 926
Related reactions
1 records
Compound notes
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