Basic information
- Standard SMILES
C=CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)NC1c1ccc(C#N)cc1- InChIKey
TYNOFKHXOPLQRU-UHFFFAOYSA-N- Molecular formula
- C23H18F3N3O3
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.13002593
Names & identifiers
- Preferred name
- Allyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- prop-2-enyl 6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
Names & synonyms
Allyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylateSCHEMBL393399Allyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylateAllyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3-,4-tetrahydro-pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 59684802
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 821
Related reactions
3 records
Compound notes
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