Basic information
- Standard SMILES
Cc1ccc2c(Nc3cc(C(=O)NCc4ccc(Br)cc4)ccc3Sc3ccc(O)cc3)ncnc2n1- InChIKey
BLUNKDOXKRYPDG-UHFFFAOYSA-N- Molecular formula
- C28H22BrN5O2S
- Average molar mass
- 572.5 g/mol
- Monoisotopic mass
- 571.06776
Names & identifiers
- Preferred name
- N-(4-Bromo-benzyl)-4-(4-hydroxy-phenylsulfanyl)-3-(7-methyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzamide
- IUPAC
- N-[(4-bromophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-3-[(7-methylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
Names & synonyms
SCHEMBL1455115BLUNKDOXKRYPDG-UHFFFAOYSA-NN-(4-Bromo-benzyl)-4-(4-hydroxy-phenylsulfanyl)-3-(7-methyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzamide
Database identifiers
- PubChem CID
- 67040545
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 733
Related reactions
1 records
Compound notes
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