1-(2-hydroxy-3-propyl-4-{3-[4-(2H-tetrazol-5-yl)-phenylamino]-benzyloxy}-phenyl)-ethanone
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Basic information
- Standard SMILES
CCCc1c(OCc2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)ccc(C(C)=O)c1O- InChIKey
XLJSCYFSFQSHNE-UHFFFAOYSA-N- Molecular formula
- C25H25N5O3
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 1-(2-hydroxy-3-propyl-4-{3-[4-(2H-tetrazol-5-yl)-phenylamino]-benzyloxy}-phenyl)-ethanone
- IUPAC
- 1-[2-hydroxy-3-propyl-4-[[3-[4-(2H-tetrazol-5-yl)anilino]phenyl]methoxy]phenyl]ethanone
Names & synonyms
SCHEMBL3173210XLJSCYFSFQSHNE-UHFFFAOYSA-N1-(2-hydroxy-3-propyl-4-{3-[4-(2H-tetrazol-5-yl)-phenylamino]-benzyloxy}-phenyl)-ethanone
Database identifiers
- PubChem CID
- 59599596
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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