Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate
Basic information
- CAS
7472-75-5- Standard SMILES
COC(=O)C(CSCc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1- InChIKey
CHBUGNHHDHRQFW-UHFFFAOYSA-N- Molecular formula
- C25H25NO3S
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.15551483
Names & identifiers
- Preferred name
- Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate
- IUPAC
- methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate
Names & synonyms
7472-75-5NSC402052methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoateDTXSID40322798NSC-402052Methyl S-benzyl-N-(diphenylacetyl)cysteinate
Database identifiers
- CAS
7472-75-5- PubChem CID
- 344903
- DTXSID
DTXSID40322798
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…