Basic information
- Standard SMILES
CC(Nc1cc(F)ccc1C#N)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12- InChIKey
XCWBYCZLGDRJEF-UHFFFAOYSA-N- Molecular formula
- C25H25FN4O4
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- 8-(1-(2-cyano-5-fluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
- IUPAC
- 8-[1-(2-cyano-5-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
Names & synonyms
SCHEMBL1638089CHEMBL3656421XCWBYCZLGDRJEF-UHFFFAOYSA-NBDBM119275US8673906, 3.358-(1-(2-cyano-5-fluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
Database identifiers
- PubChem CID
- 58235083
- ChEMBL
CHEMBL3656421
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 849
Related reactions
4 records
Compound notes
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