Basic information
- Standard SMILES
COC(=O)c1cc(Br)c2oc(N3CCOC(C)C3)cc(=O)c2c1- InChIKey
SCCJAABLYRGCNN-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO5
- Average molar mass
- 382.21 g/mol
- Monoisotopic mass
- 381.02119
Names & identifiers
- Preferred name
- Methyl 8-bromo-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate
- IUPAC
- methyl 8-bromo-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate
Names & synonyms
SCHEMBL1637828
Database identifiers
- PubChem CID
- 67103646
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 523
Related reactions
3 records
Compound notes
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