Basic information
- Standard SMILES
CCc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)C)cc1- InChIKey
HXDMNMBRPLEMSI-PPHZAIPVSA-N- Molecular formula
- C28H30FN3O2
- Average molar mass
- 459.6 g/mol
Names & identifiers
- Preferred name
- N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2-methyl-propanamide
- IUPAC
- N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-methylpropanamide
Names & synonyms
SCHEMBL837433HXDMNMBRPLEMSI-PPHZAIPVSA-NN-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2-methyl-propanamide
Database identifiers
- PubChem CID
- 59339797
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 646
Related reactions
2 records
Compound notes
Loading…