Basic information
- Standard SMILES
COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)c3ccc(C)cc3)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c1- InChIKey
WOTCJVSNWLYVBY-UHFFFAOYSA-N- Molecular formula
- C31H29FN8O5
- Average molar mass
- 612.6 g/mol
Names & identifiers
- Preferred name
- N-[1-amino-1-(4-{[[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}phenyl)methylidene]-4-methylbenzamide
- IUPAC
- N-[amino-[4-[[[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]phenyl]methylidene]-4-methylbenzamide
Names & synonyms
WOTCJVSNWLYVBY-UHFFFAOYSA-NN-[1-amino-1-(4-{[[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}phenyl)methylidene]-4-methylbenzamide
Database identifiers
- PubChem CID
- 136334026
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
3 records
Compound notes
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