Basic information
- Standard SMILES
COc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl- InChIKey
SOJUZKVZNHWTCE-UHFFFAOYSA-N- Molecular formula
- C26H27Cl2N3O3
- Average molar mass
- 500.4 g/mol
Names & identifiers
- Preferred name
- 1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
- IUPAC
- [3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
Names & synonyms
3-Oxybenzamide 62CHEMBL94439SCHEMBL6066508BDBM13676SOJUZKVZNHWTCE-UHFFFAOYSA-N{3-[2-(2,4-Dichlorophenyl)-ethoxy]-4-methoxy-phenyl}-(4-pyridin-4-ylmethyl-piperazin-1-yl)-methanone1-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
Database identifiers
- PubChem CID
- 10185372
- ChEMBL
CHEMBL94439
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 628
Related reactions
3 records
Compound notes
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