Basic information
- Standard SMILES
CCCN(c1cc(COCC(C)(N)Cc2ccccc2)cc(C(=O)O)c1)S(C)(=O)=O- InChIKey
IQOIJWSAOOHXQZ-UHFFFAOYSA-N- Molecular formula
- C22H30N2O5S
- Average molar mass
- 434.6 g/mol
Names & identifiers
- Preferred name
- 3-[(2-Amino-2-methyl-3-phenylpropoxy)methyl]-5-[(methylsulfonyl)(propyl)amino]benzoic acid
- IUPAC
- 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-5-[methylsulfonyl(propyl)amino]benzoic acid
Names & synonyms
SCHEMBL2212918IQOIJWSAOOHXQZ-UHFFFAOYSA-N3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-5-[(methylsulfonyl)(propyl)amino]benzoic acid
Database identifiers
- PubChem CID
- 67318966
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 644
Related reactions
2 records
Compound notes
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