Basic information
- Standard SMILES
COC(=O)CN(C)C(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl- InChIKey
AJFRJGQLFFFXFE-UHFFFAOYSA-N- Molecular formula
- C28H26Cl2N4O5
- Average molar mass
- 569.4 g/mol
- Monoisotopic mass
- 568.1280253
Names & identifiers
- Preferred name
- ({2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoyl}-methyl-amino)-acetic acid methyl ester
- IUPAC
- methyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]-methylamino]acetate
Names & synonyms
SCHEMBL2215895AJFRJGQLFFFXFE-UHFFFAOYSA-N({2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoyl}-methyl-amino)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 53312196
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 907
Related reactions
6 records
Compound notes
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