Basic information
- Standard SMILES
CCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccncc2)cc1- InChIKey
JHLMFTHTGBNHJY-UHFFFAOYSA-N- Molecular formula
- C22H26N3O3P
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- (3-{[3-(4-Ethylphenyl)-[2,4']-bipyridin-6-ylmethyl]-amino}-propyl)-phosphonic Acid
- IUPAC
- 3-[[5-(4-ethylphenyl)-6-pyridin-4-yl-2-pyridinyl]methylamino]propylphosphonic acid
Names & synonyms
SCHEMBL805647CHEMBL3651719JHLMFTHTGBNHJY-UHFFFAOYSA-NBDBM103608US8563594, 157(3-{[3-(4-Ethylphenyl)-[2,4']-bipyridin-6-ylmethyl]-amino}-propyl)-phosphonic Acid
Database identifiers
- PubChem CID
- 44217417
- ChEMBL
CHEMBL3651719
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
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