Basic information
- Standard SMILES
O=S(c1ccc(/C=C/c2nc(COc3ccc(CNCCn4ccnn4)cc3)co2)cc1)C(F)(F)F- InChIKey
PHOILEMJXNWLFK-BJMVGYQFSA-N- Molecular formula
- C24H22F3N5O3S
- Average molar mass
- 517.5 g/mol
Names & identifiers
- Preferred name
- (2-[1,2,3] Triazol-1-yl-ethyl)-(4-{2-[(E)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4ylmethoxy}-benzyl)-amine
- IUPAC
- 2-(triazol-1-yl)-N-[[4-[[2-[(E)-2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]ethanamine
Names & synonyms
(2-[1,2,3] Triazol-1-yl-ethyl)-(4-{2-[(E)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4ylmethoxy}-benzyl)-amineSCHEMBL5045324(2-[1,2,3] triazol-1-yl-ethyl)-(4-{2-[(e)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-benzyl)-amine
Database identifiers
- PubChem CID
- 11364348
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 716
Related reactions
1 records
Compound notes
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