Basic information
- Standard SMILES
O=C(O)C(c1ccc(Br)cc1F)N1CCC2(CC1)CN(C1CC1)C(=O)CO2- InChIKey
ROGRYHWGYYJJKG-UHFFFAOYSA-N- Molecular formula
- C19H22BrFN2O4
- Average molar mass
- 441.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromo-2-fluorophenyl)-2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)acetic acid
- IUPAC
- 2-(4-bromo-2-fluorophenyl)-2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)acetic acid
Names & synonyms
SCHEMBL14720349ROGRYHWGYYJJKG-UHFFFAOYSA-N2-(4-bromo-2-fluorophenyl)-2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)acetic acid
Database identifiers
- PubChem CID
- 71270892
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 594
Related reactions
3 records
Compound notes
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