Basic information
- Standard SMILES
O=C(C=Cc1ccc(Br)cc1)Nc1ccc2c(cnn2CC(O)(Cn2cncn2)c2ccc(F)cc2F)c1- InChIKey
QMUJKYPXIKRQNN-UHFFFAOYSA-N- Molecular formula
- C27H21BrF2N6O2
- Average molar mass
- 579.4 g/mol
- Monoisotopic mass
- 578.08774
Names & identifiers
- Preferred name
- 3-(4-bromophenyl)-N-[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]indazol-5-yl]prop-2-enamide
- IUPAC
- 3-(4-bromophenyl)-N-[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]indazol-5-yl]prop-2-enamide
Names & synonyms
SCHEMBL3443659
Database identifiers
- PubChem CID
- 68644792
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 833
Related reactions
1 records
Compound notes
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