Basic information
- Standard SMILES
CC(C)(C)c1ccc(Nc2nc(Nc3ccc4c(c3)CC(C(=O)O)O4)ncc2F)cc1- InChIKey
IUJSBTMEZHURRD-UHFFFAOYSA-N- Molecular formula
- C23H23FN4O3
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- N4-(4-tert-butylphenyl)-5-fluoro-N2-(2,3-dihydro-2-carboxybenzofuran-5-yl)-2,4-pyrimidinediamine
- IUPAC
- 5-[[4-(4-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-2-carboxylic acid
Names & synonyms
SCHEMBL656585IUJSBTMEZHURRD-UHFFFAOYSA-NN4-(4-tert-butylphenyl)-5-fluoro-N2-(2,3-dihydro-2-carboxybenzofuran-5-yl)-2,4-pyrimidinediamineN4-(4-tert-butylphenyl)-5-fluoro-N2-[2,3-dihydro-2-(carboxy)benzofuran-5-yl]-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 22060366
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 622
Related reactions
95 records
Compound notes
Loading…