Basic information
- Standard SMILES
O=c1c(NCc2ccc(Oc3ccccc3)cc2)c(Nc2ccncc2)c1=O- InChIKey
CADAELCTOVFDPB-UHFFFAOYSA-N- Molecular formula
- C22H17N3O3
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 3-[4-Phenoxybenzylamino]-4-(pyridin-4-yl-amino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-[(4-phenoxyphenyl)methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL4030799CADAELCTOVFDPB-UHFFFAOYSA-N3-[4-Phenoxybenzylamino]-4-(pyridin-4-yl-amino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 23132425
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
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