Basic information
- CAS
20285-77-2- Standard SMILES
CCCCCCCCCCCCCCCCCCN(C)c1ccc(C(=O)O)cc1NC(=O)c1cc(O)c2ccccc2c1- InChIKey
MHZLYPJCRQHPSV-UHFFFAOYSA-N- Molecular formula
- C37H52N2O4
- Average molar mass
- 588.8 g/mol
- Monoisotopic mass
- 588.39270814
Names & identifiers
- Preferred name
- Einecs 243-686-9
- IUPAC
- 3-[(4-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzoic acid
Names & synonyms
DTXSID50942421EINECS 243-686-93-{[Hydroxy(4-hydroxynaphthalen-2-yl)methylidene]amino}-4-[methyl(octadecyl)amino]benzoic acid
Database identifiers
- CAS
20285-77-2- PubChem CID
- 88463
- DTXSID
DTXSID50942421
Properties
Computed structural properties
- XLogP
- 12.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 21
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 776
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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