Basic information
- Standard SMILES
FC(F)(F)Oc1ccc2[nH]c(-c3nc(COc4ccc(CCCCn5ccnn5)cc4)co3)cc2c1- InChIKey
AGHJJNCILLEAJU-UHFFFAOYSA-N- Molecular formula
- C25H22F3N5O3
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- 2-{4-[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenoxymethyl]-oxazol-2-yl}-5-trifluoromethoxy-1H-indole
- IUPAC
- 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[5-(trifluoromethoxy)-1H-indol-2-yl]-1,3-oxazole
Names & synonyms
2-{4-[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenoxymethyl]-oxazol-2-yl}-5-trifluoromethoxy-1H-indoleSCHEMBL4866657QWDRABPGNAURQG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 135520366
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
Loading…