Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12- InChIKey
XZPQFVHFJPQHOX-UHFFFAOYSA-N- Molecular formula
- C25H19BrFIN4O5S
- Average molar mass
- 713.3 g/mol
- Monoisotopic mass
- 711.92883
Names & identifiers
- Preferred name
- Methyl 3-(3-bromo-4-fluorophenyl)-2-[[4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoate
- IUPAC
- methyl 3-(3-bromo-4-fluorophenyl)-2-[[4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoate
Names & synonyms
SCHEMBL3750189
Database identifiers
- PubChem CID
- 68772149
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 943
Related reactions
1 records
Compound notes
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