Basic information
- Standard SMILES
CC(C)c1ccc2c(Nc3cc(C(=O)Nc4ccccc4O)ccc3Sc3ccc(O)cc3)ncnc2n1- InChIKey
FGDMKYNILPPHRE-UHFFFAOYSA-N- Molecular formula
- C29H25N5O3S
- Average molar mass
- 523.6 g/mol
Names & identifiers
- Preferred name
- N-(2-Hydroxy-phenyl)-4-(4-hydroxy-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzamide
- IUPAC
- N-(2-hydroxyphenyl)-4-(4-hydroxyphenyl)sulfanyl-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
Names & synonyms
SCHEMBL1454532FGDMKYNILPPHRE-UHFFFAOYSA-NN-(2-Hydroxy-phenyl)-4-(4-hydroxy-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzamide
Database identifiers
- PubChem CID
- 67040263
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 766
Related reactions
1 records
Compound notes
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