Basic information
- CAS
4020-18-2- Standard SMILES
O=C1CCN(Cc2ccc(Cl)cc2Cl)C(=O)N1- InChIKey
ZGSFKDVWVZYQJT-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N2O2
- Average molar mass
- 273.11 g/mol
- Monoisotopic mass
- 272.011933
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorobenzyl)dihydropyrimidine-2,4(1h,3h)-dione
- IUPAC
- 1-[(2,4-dichlorophenyl)methyl]-1,3-diazinane-2,4-dione
Names & synonyms
4020-18-2MLS0026389771-(2,4-dichlorobenzyl)dihydropyrimidine-2,4(1h,3h)-dione1-[(2,4-dichlorophenyl)methyl]-1,3-diazinane-2,4-dioneHMS3085G03NSC24134CHEMBL1888258SCHEMBL19370620DTXSID00282081NSC-24134SMR001548437
Database identifiers
- CAS
4020-18-2- PubChem CID
- 229983
- DTXSID
DTXSID00282081- ChEMBL
CHEMBL1888258
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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