Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1cccc(CN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1- InChIKey
WNJKFURYRQNURB-UHFFFAOYSA-N- Molecular formula
- C32H32Cl2N2O5S
- Average molar mass
- 627.6 g/mol
- Monoisotopic mass
- 626.1408987
Names & identifiers
- Preferred name
- tert-butyl 3-((N-(biphenyl-4-ylmethyl)-3,5-dichloro-2-hydroxyphenylsulfonamido)methyl)benzylcarbamate
- IUPAC
- tert-butyl N-[[3-[[(3,5-dichloro-2-hydroxyphenyl)sulfonyl-[(4-phenylphenyl)methyl]amino]methyl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL184307WNJKFURYRQNURB-UHFFFAOYSA-Ntert-butyl 3-((N-(biphenyl-4-ylmethyl)-3,5-dichloro-2-hydroxyphenylsulfonamido)methyl)benzylcarbamate
Database identifiers
- PubChem CID
- 44594965
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 957
Related reactions
3 records
Compound notes
Loading…