Basic information
- Standard SMILES
COc1cc(F)ccc1C(F)C1CCCCn2c1nc(-c1ccncn1)cc2=O- InChIKey
RCGHAPNCTHUBQJ-UHFFFAOYSA-N- Molecular formula
- C21H20F2N4O2
- Average molar mass
- 398.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-10-[Fluoro-(4-fluoro-2-methoxy-phenyl)-methyl]-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
- IUPAC
- 10-[fluoro-(4-fluoro-2-methoxyphenyl)methyl]-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
Names & synonyms
SCHEMBL1831092RCGHAPNCTHUBQJ-UHFFFAOYSA-N(+/-)-10-[Fluoro-(4-fluoro-2-methoxy-phenyl)-methyl]-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one(+/-)-10-[Fluoro-(4-fluoro-2-methoxy-phenyl)-methyl]-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-alpha]azepin-4-one
Database identifiers
- PubChem CID
- 44600982
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Related reactions
1 records
Compound notes
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