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Basic information
- Standard SMILES
CN(C)Cc1ccc([C@@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@@H]2c2ncnn2C)cc1- InChIKey
OWJGUHRNNJVRHR-MOPGFXCFSA-N- Molecular formula
- C22H22FN7O
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.18698651
Names & identifiers
- Preferred name
- (8R,9R)-8-(4-((dimethylamino)methyl)phenyl)-5-fluoro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
- IUPAC
- (11R,12R)-11-[4-[(dimethylamino)methyl]phenyl]-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
Names & synonyms
SCHEMBL2379944OWJGUHRNNJVRHR-MOPGFXCFSA-N(8R,9R)-8-(4-((dimethylamino)methyl)phenyl)-5-fluoro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
Database identifiers
- PubChem CID
- 136374697
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 710
Related reactions
3 records
Compound notes
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