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Basic information
- Standard SMILES
Cc1nc2cccc(-c3cc(C(=O)O)c(CNC(=O)OC(C)(C)C)[nH]3)c2nc1NCC(F)(F)F- InChIKey
WZACKGWIVSGEAY-UHFFFAOYSA-N- Molecular formula
- C22H24F3N5O4
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.17803875
Names & identifiers
- Preferred name
- 2-(((tert-butoxycarbonyl)amino)methyl)-5-(2-methyl-3-((2,2,2-trifluoroethyl)amino)quinoxalin-5-yl)-1H-pyrrole-3-carboxylic acid
- IUPAC
- 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-[2-methyl-3-(2,2,2-trifluoroethylamino)quinoxalin-5-yl]-1H-pyrrole-3-carboxylic acid
Names & synonyms
2-(((tert-butoxycarbonyl)amino)methyl)-5-(2-methyl-3-((2,2,2-trifluoroethyl)amino)quinoxalin-5-yl)-1H-pyrrole-3-carboxylic acidSCHEMBL15232066
Database identifiers
- PubChem CID
- 89784643
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
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