Basic information
- Standard SMILES
N=C(N)OCCc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1- InChIKey
OXICRIJWVWPVKR-UHFFFAOYSA-N- Molecular formula
- C14H13F3N4O2
- Average molar mass
- 326.27 g/mol
Names & identifiers
- Preferred name
- 2-(4-{[2-(Trifluoromethyl)-5-pyrimidinyl]oxy}phenyl)ethyl imidocarbamate
- IUPAC
- 2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethyl carbamimidate
Names & synonyms
2-(4-{[2-(trifluoromethyl)-5-pyrimidinyl]oxy}phenyl)ethyl imidocarbamateSCHEMBL9106578OXICRIJWVWPVKR-UHFFFAOYSA-NOXICRIJWVWPVKR-UHFFFAOYSA-O
Database identifiers
- PubChem CID
- 67775158
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
1 records
Compound notes
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