N-Propyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
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Basic information
- Standard SMILES
CCCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1- InChIKey
ADVQHWADXWMWRV-UHFFFAOYSA-N- Molecular formula
- C27H27F3N4O2
- Average molar mass
- 496.5 g/mol
Names & identifiers
- Preferred name
- N-Propyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
- IUPAC
- N-propyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide
Names & synonyms
CHEMBL558716N-Propyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamideSCHEMBL476713BDBM50414616
Database identifiers
- PubChem CID
- 45273665
- ChEMBL
CHEMBL558716
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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