Basic information
- CAS
1097829-73-6- Standard SMILES
CC(Sc1ccccc1Br)C(=O)Nc1ccc(N)cc1- InChIKey
OWBUMKQKAWPYDC-UHFFFAOYSA-N- Molecular formula
- C15H15BrN2OS
- Average molar mass
- 351.3 g/mol
- Monoisotopic mass
- 350.00885
Names & identifiers
- Preferred name
- N-(4-Aminophenyl)-2-[(2-bromophenyl)thio]propanamide
- IUPAC
- N-(4-aminophenyl)-2-(2-bromophenyl)sulfanylpropanamide
Names & synonyms
N-(4-Aminophenyl)-2-[(2-bromophenyl)thio]propanamideDTXSID0012190961097829-73-6N-(4-Aminophenyl)-2-[(2-bromophenyl)sulfanyl]propanamide
Database identifiers
- CAS
1097829-73-6- PubChem CID
- 43345263
- DTXSID
DTXSID001219096
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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