Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)CNN2CC(O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
VYJZAHXKGYWQKS-UHFFFAOYSA-N- Molecular formula
- C18H16F2N6O3
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.12519472
Names & identifiers
- Preferred name
- 2-(2,4-Difluorophenyl)-1-(5-nitro-2H-indazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
- IUPAC
- 2-(2,4-difluorophenyl)-1-(5-nitro-2,3-dihydroindazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Names & synonyms
SCHEMBL3442626VYJZAHXKGYWQKS-UHFFFAOYSA-N2-(2,4-Difluorophenyl)-1-(5-nitro-2H-indazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
Database identifiers
- PubChem CID
- 68644292
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 598
Related reactions
1 records
Compound notes
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