2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-3-(1-methylethoxy)phenyl)-1-methyl-6-(trifluoromethyl)-
Basic information
- CAS
133762-96-6- Standard SMILES
CC(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl- InChIKey
BSHKWHGKJMVVEW-UHFFFAOYSA-N- Molecular formula
- C15H14ClF3N2O3
- Average molar mass
- 362.73 g/mol
- Monoisotopic mass
- 362.0645045
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-3-(1-methylethoxy)phenyl)-1-methyl-6-(trifluoromethyl)-
- IUPAC
- 3-(4-chloro-3-propan-2-yloxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
Names & synonyms
Ro 41-8568133762-96-62,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-3-(1-methylethoxy)phenyl)-1-methyl-6-(trifluoromethyl)-3-(4-Chloro-3-isopropoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dioneSCHEMBL10579932DTXSID00158358BSHKWHGKJMVVEW-UHFFFAOYSA-N3-{4-Chloro-3-[(propan-2-yl)oxy]phenyl}-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
133762-96-6- PubChem CID
- 164347
- DTXSID
DTXSID00158358- Nikkaji
- J372.654A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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