(+/-)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-methoxy-5,6-dihydropyrazin-2(1H)-one
Basic information
- Standard SMILES
COC1=NCC(C2CC2)N(Cc2cccc(C(F)(F)F)c2Cl)C1=O- InChIKey
WIHCTYXIUVEUAG-UHFFFAOYSA-N- Molecular formula
- C16H16ClF3N2O2
- Average molar mass
- 360.76 g/mol
- Monoisotopic mass
- 360.0852399
Names & identifiers
- Preferred name
- (+/-)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-methoxy-5,6-dihydropyrazin-2(1H)-one
- IUPAC
- 4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-cyclopropyl-6-methoxy-2,3-dihydropyrazin-5-one
Names & synonyms
(+/-)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-methoxy-5,6-dihydropyrazin-2(1H)-oneSCHEMBL16027819
Database identifiers
- PubChem CID
- 90402452
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
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