Basic information
- Standard SMILES
COc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl- InChIKey
GWDRNDFJJHXBAV-UHFFFAOYSA-N- Molecular formula
- C25H25Cl2N3O3
- Average molar mass
- 486.4 g/mol
Names & identifiers
- Preferred name
- 1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-yl)piperazine
- IUPAC
- [3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
Names & synonyms
3-Oxybenzamide 95CHEMBL190670SCHEMBL6067053BDBM13709GWDRNDFJJHXBAV-UHFFFAOYSA-N1-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-yl)piperazine{3-[2-(2,4-Dichlorophenyl)-Ethoxy]-4-Methoxy-Phenyl}-(4-Pyridin-4-Yl-Piperazin-1-Yl)-Methanone
Database identifiers
- PubChem CID
- 11329232
- ChEMBL
CHEMBL190670
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 614
Related reactions
3 records
Compound notes
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