Agn-PC-0loqwo
Basic information
- CAS
5720-74-1- Standard SMILES
CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CC1- InChIKey
WCSTYENOIULACA-UHFFFAOYSA-N- Molecular formula
- C22H25BrN4O2S
- Average molar mass
- 489.4 g/mol
- Monoisotopic mass
- 488.08816
Names & identifiers
- Preferred name
- Agn-PC-0loqwo
- IUPAC
- 3-bromo-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
Names & synonyms
5720-74-1AGN-PC-0LOQWODTXSID804112563-Bromo-N-({4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide
Database identifiers
- CAS
5720-74-1- PubChem CID
- 5223667
- DTXSID
DTXSID80411256
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…