Basic information
- Standard SMILES
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccc(O)cc3)n2)cc1- InChIKey
AAVAFRQLPYKZQC-UHFFFAOYSA-N- Molecular formula
- C22H20N6O2S
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.13684508
Names & identifiers
- Preferred name
- [2-(4-acetamido-phenyl-sulfanyl)-6-(4-hydroxyphenyl)-pyrimidin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amine
- IUPAC
- N-[4-[4-(4-hydroxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
Database identifiers
- PubChem CID
- 135752524
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 582
Related reactions
18 records
Linked notes
Loading…