Dibenzyl 2-[(4-methylphenyl)sulfonylamino]butanedioate
Basic information
- CAS
73984-07-3- Standard SMILES
Cc1ccc(S(=O)(=O)NC(CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1- InChIKey
BRPMKJPZZZOLEE-UHFFFAOYSA-N- Molecular formula
- C25H25NO6S
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.14025869
Names & identifiers
- Preferred name
- Dibenzyl 2-[(4-methylphenyl)sulfonylamino]butanedioate
- IUPAC
- dibenzyl 2-[(4-methylphenyl)sulfonylamino]butanedioate
Names & synonyms
MLS00311570573984-07-3NSC296950CHEMBL2134581DTXSID30315735NSC-296950SMR001831276Dibenzyl N-(4-methylbenzene-1-sulfonyl)aspartate
Database identifiers
- CAS
73984-07-3- PubChem CID
- 326200
- DTXSID
DTXSID30315735- ChEMBL
CHEMBL2134581
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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