Basic information
- Standard SMILES
O=C1COCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CNC1=O)N2- InChIKey
RPPWFSAXVVNIKV-UHFFFAOYSA-N- Molecular formula
- C16H12BrFN2O3
- Average molar mass
- 379.18 g/mol
Names & identifiers
- Preferred name
- 9-(3-bromo-4-fluorophenyl)-2,3,5,9-tetrahydropyrano[3,4-b]pyrrolo[3,4-e]pyridine-1,8(4H,7H)-dione
- IUPAC
- 8-(3-bromo-4-fluorophenyl)-12-oxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
Names & synonyms
CHEMBL108400SCHEMBL5073018RPPWFSAXVVNIKV-UHFFFAOYSA-N9-(3-bromo-4-fluorophenyl)-2,3,5,9-tetrahydropyrano[3,4-b]pyrrolo[3,4-e]pyridine-1,8(4H,7H)-dione
Database identifiers
- PubChem CID
- 9929686
- ChEMBL
CHEMBL108400
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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