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Basic information
- Standard SMILES
CCOC(=O)c1cn2c3c(c(-c4cc(C)nc(C)c4)c(F)cc3c1=O)OC[C@H]2C- InChIKey
KHVSNJLYHVNANC-CYBMUJFWSA-N- Molecular formula
- C22H21FN2O4
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.14853532
Names & identifiers
- Preferred name
- Ethyl (R)-10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate
- IUPAC
- ethyl (2R)-6-(2,6-dimethyl-4-pyridinyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate
Names & synonyms
KHVSNJLYHVNANC-CYBMUJFWSA-NEthyl (R)-10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate
Database identifiers
- PubChem CID
- 14501366
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 688
Related reactions
1 records
Compound notes
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