Basic information
- Standard SMILES
CCOP(=O)([O-])Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(CCCO)c4)c4c3C(=O)N(C)C4)n2)c(OC)c1.[Na+]- InChIKey
GHUSHVKSHZCVEM-UHFFFAOYSA-M- Molecular formula
- C30H32F3N7NaO6P
- Average molar mass
- 697.6 g/mol
Names & identifiers
- Preferred name
- Sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
- IUPAC
- sodium ethoxy-[[4-[[4-[[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methyl-3-oxo-1H-isoindol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]methyl]phosphinate
Names & synonyms
Sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
Database identifiers
- PubChem CID
- 86697675
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
2 records
Compound notes
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