Basic information
- CAS
1005068-68-7- Standard SMILES
COc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(F)cc2)cc1- InChIKey
JLYNOMVNFPMSSJ-UHFFFAOYSA-N- Molecular formula
- C19H16F4N2O4
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 412.10461964
Names & identifiers
- Preferred name
- 5-(4-Fluorobenzoyl)tetrahydro-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2(1H)-pyrimidinone
- IUPAC
- 5-(4-fluorobenzoyl)-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Names & synonyms
1005068-68-75-(4-Fluorobenzoyl)tetrahydro-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2(1H)-pyrimidinoneRefChem:2999245-(4-fluorobenzoyl)-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-oneSMR0000345022(1H)-Pyrimidinone, 5-(4-fluorobenzoyl)tetrahydro-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)-MLS000037319MLS002581879CHEMBL1378742DTXSID101115112HMS2313J05CCG-20243
Show more names
STK876928AKOS001667471AKOS016294958ST50048555SR-01000002285SR-01000002285-2Z572398045-(4-fluorobenzoyl)-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
Database identifiers
- CAS
1005068-68-7- PubChem CID
- 660342
- DTXSID
DTXSID101115112- ChEMBL
CHEMBL1378742
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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