Basic information
- Standard SMILES
O=C(O)CCCCN(CCc1ccccc1OCc1ccccc1Cl)Cc1ccc(C(=O)O)cc1- InChIKey
KATWWKKGPSRNSL-UHFFFAOYSA-N- Molecular formula
- C28H30ClNO5
- Average molar mass
- 496 g/mol
Names & identifiers
- Preferred name
- 4-[((4-Carboxybutyl){2-[(2-chlorobenzyl)oxy]phenethyl}amino)methyl]-benzoic acid
- IUPAC
- 4-[[4-carboxybutyl-[2-[2-[(2-chlorophenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid
Names & synonyms
4-[((4-carboxybutyl){2-[(2-chlorobenzyl)oxy]phenethyl}amino)methyl]-benzoic acid4-[{(4-carboxybutyl)(2-[(2-chlorobenzyl)oxy]phenethyl}amino)methyl]-benzoic acidSCHEMBL3001914KATWWKKGPSRNSL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22015035
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 639
Related reactions
3 records
Compound notes
Loading…