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Basic information
- Standard SMILES
O=c1c(NCc2ccc(COc3ccc(Cl)cc3)cc2)c(Nc2ccncc2)c1=O- InChIKey
FOVOESHVKCUWNT-UHFFFAOYSA-N- Molecular formula
- C23H18ClN3O3
- Average molar mass
- 419.9 g/mol
Names & identifiers
- Preferred name
- 3-[4-(4-Chlorophenoxymethyl)-benzylamino]-4-(pyridin-4-yl-amino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-[[4-[(4-chlorophenoxy)methyl]phenyl]methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL4024345FOVOESHVKCUWNT-UHFFFAOYSA-N3-[4-(4-Chlorophenoxymethyl)-benzylamino]-4-(pyridin-4-yl-amino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 11633131
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Related reactions
2 records
Compound notes
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