Basic information
- Standard SMILES
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)N3CCC(C(=O)O)CC3)c2)cc1- InChIKey
SOKSRUDNECNDGJ-UHFFFAOYSA-N- Molecular formula
- C38H43N3O7S
- Average molar mass
- 685.8 g/mol
Names & identifiers
- Preferred name
- 1-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]piperidine-4-carboxylic Acid
- IUPAC
- 1-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoyl]piperidine-4-carboxylic acid
Names & synonyms
SCHEMBL3964699SOKSRUDNECNDGJ-UHFFFAOYSA-N1-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]piperidine-4-carboxylic Acid
Database identifiers
- PubChem CID
- 18512396
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
1 records
Compound notes
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