Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCNCC3)cc2)c2ccc(C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)cc1- InChIKey
ICCCRGUEENSWPJ-UHFFFAOYSA-N- Molecular formula
- C43H45N3O6S
- Average molar mass
- 731.9 g/mol
Names & identifiers
- Preferred name
- benzyl 2-(benzyloxy)-4-(2-(N,4-dimethylphenylsulfonamido)-N-(4-(piperidin-4-yl)benzyl)acetamido)benzoate
- IUPAC
- benzyl 4-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-[(4-piperidin-4-ylphenyl)methyl]amino]-2-phenylmethoxybenzoate
Names & synonyms
SCHEMBL10244591ICCCRGUEENSWPJ-UHFFFAOYSA-Nbenzyl 2-(benzyloxy)-4-(2-(N,4-dimethylphenylsulfonamido)-N-(4-(piperidin-4-yl)benzyl)acetamido)benzoate
Database identifiers
- PubChem CID
- 68076260
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
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