Basic information
- Standard SMILES
COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2ccsc2)c1- InChIKey
BCOVPFOKPOFXMT-MYUZEXMDSA-N- Molecular formula
- C28H24FN3O3S
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
- IUPAC
- N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
Names & synonyms
SCHEMBL836197BCOVPFOKPOFXMT-MYUZEXMDSA-NN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
Database identifiers
- PubChem CID
- 59339765
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 724
Related reactions
2 records
Compound notes
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