2-Amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
Basic information
- CAS
27486-76-6- Standard SMILES
NC(CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(=O)O- InChIKey
WUEMKWIMYPFRNV-UHFFFAOYSA-N- Molecular formula
- C26H23NO2S
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.14495015
Names & identifiers
- Preferred name
- 2-Amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
- IUPAC
- 2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
Names & synonyms
MLS002707306NSC123492CHEMBL1736733NSC-12349227486-76-6SMR001574698
Database identifiers
- CAS
27486-76-6- PubChem CID
- 276200
- ChEMBL
CHEMBL1736733
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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