{9-[(2,3-Difluorophenyl)methyl]-5-carbamoylcarbazol-4-yl}oxyacetic acid
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Basic information
- Standard SMILES
NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(F)c1F- InChIKey
BLCNILYGCATZEH-UHFFFAOYSA-N- Molecular formula
- C22H16F2N2O4
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.10781332
Names & identifiers
- Preferred name
- {9-[(2,3-Difluorophenyl)methyl]-5-carbamoylcarbazol-4-yl}oxyacetic acid
- IUPAC
- 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetic acid
Names & synonyms
SCHEMBL819128SCHEMBL30411509BLCNILYGCATZEH-UHFFFAOYSA-N{9-[(2,3-difluorophenyl)methyl]-5-carbamoylcarbazol-4-yl}oxyacetic acid
Database identifiers
- PubChem CID
- 10201612
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 651
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Related reactions
2 records
Compound notes
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