Basic information
- CAS
1032072-48-2- Standard SMILES
COc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=S)Nc2ccccc2)c1- InChIKey
JALQRQTURJIMAZ-UHFFFAOYSA-N- Molecular formula
- C21H24N4O4S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.15182643
Names & identifiers
- Preferred name
- N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
- IUPAC
- N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
Names & synonyms
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide1032072-48-22-Piperazineacetamide, N-(2,5-dimethoxyphenyl)-3-oxo-1-[(phenylamino)thioxomethyl]-N-(2,5-dimethoxyphenyl)-2-(3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl)acetamideDTXSID901132526STK210732AKOS002277420AKOS016309125ST50161561N-(2,5-dimethoxyphenyl)-2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}a cetamideN-(2,5-Dimethoxyphenyl)-3-oxo-1-[(phenylamino)thioxomethyl]-2-piperazineacetamide
Database identifiers
- CAS
1032072-48-2- PubChem CID
- 4889023
- DTXSID
DTXSID901132526
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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