Basic information
- Standard SMILES
CC(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=S)ccc1Cl- InChIKey
REUAESDJUCHTKA-UHFFFAOYSA-N- Molecular formula
- C15H12ClF3N2O3S
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.0209256
Names & identifiers
- Preferred name
- isopropyl 2-chloro-5-[3,6-dihydro-4-trifluoromethyl-6-oxo-2-thioxo-1(2H)-pyrimidinyl]-benzoate
- IUPAC
- propan-2-yl 2-chloro-5-[4-oxo-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzoate
Names & synonyms
isopropyl 2-chloro-5-[3,6-dihydro-4-trifluoromethyl-6-oxo-2-thioxo-1(2H)-pyrimidinyl]-benzoateSCHEMBL10648067isopropyl 2-chloro-5-[3,6-dihydro-4-trifluoromethyl-6-oxo-2-thioxo-1(2H)-pyrimidinyl]benzoate
Database identifiers
- PubChem CID
- 20130673
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 609
Related reactions
2 records
Compound notes
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