Basic information
- Standard SMILES
COC(=O)c1[nH]c(=O)n(C(=O)C(Cl)(Cl)Cl)c1-c1ccc(F)c(F)c1- InChIKey
DSSYZCZMNLEDSB-UHFFFAOYSA-N- Molecular formula
- C13H7Cl3F2N2O4
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 397.943946
Names & identifiers
- Preferred name
- 1-trichloroacetyl-5-(3,4-difluorophenyl)-2,3-dihydro-4-methoxycarbonyl-2(1H)-imidazolone
- IUPAC
- methyl 4-(3,4-difluorophenyl)-2-oxo-3-(2,2,2-trichloroacetyl)-1H-imidazole-5-carboxylate
Names & synonyms
SCHEMBL8129717DSSYZCZMNLEDSB-UHFFFAOYSA-N1-trichloroacetyl-5-(3,4-difluorophenyl)-2,3-dihydro-4-methoxycarbonyl-2(1H)-imidazolone
Database identifiers
- PubChem CID
- 18798271
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 609
Related reactions
1 records
Compound notes
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