Basic information
- Standard SMILES
C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Oc3c(Cl)cc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc2O)C1- InChIKey
SOIBYWHVERWTOD-BETUJISGSA-N- Molecular formula
- C23H22Cl2N4O5
- Average molar mass
- 505.3 g/mol
Names & identifiers
- Preferred name
- 2-{3,5-Dichloro-4-[3-(cis-3,5-dimethyl-piperidine-1-carbonyl)-4-hydroxy-phenoxy]-phenyl}-2H-[1,2,4]triazine-3,5-dione
- IUPAC
- 2-[3,5-dichloro-4-[3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-4-hydroxyphenoxy]phenyl]-1,2,4-triazine-3,5-dione
Names & synonyms
SCHEMBL6217254SOIBYWHVERWTOD-BETUJISGSA-N2-{3,5-Dichloro-4-[3-(cis-3,5-dimethyl-piperidine-1-carbonyl)-4-hydroxy-phenoxy]-phenyl}-2H-[1,2,4]triazine-3,5-dione
Database identifiers
- PubChem CID
- 69708175
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 807
Related reactions
2 records
Compound notes
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