3-{[4-(Azetidin-1-ylcarbonyl)phenyl]oxy}-N-(1-ethyl-1H-pyrazol-3-yl)-5-{[(1S)-2-hydroxy-1-methylethyl]oxy}benzamide
Basic information
- Standard SMILES
CCn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)n1- InChIKey
KGFQZZJSFVPPQN-KRWDZBQOSA-N- Molecular formula
- C25H28N4O5
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- 3-{[4-(Azetidin-1-ylcarbonyl)phenyl]oxy}-N-(1-ethyl-1H-pyrazol-3-yl)-5-{[(1S)-2-hydroxy-1-methylethyl]oxy}benzamide
- IUPAC
- 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-ethylpyrazol-3-yl)-5-[(2S)-1-hydroxypropan-2-yl]oxybenzamide
Names & synonyms
SCHEMBL2654608CHEMBL3219105KGFQZZJSFVPPQN-KRWDZBQOSA-N3-{[4-(Azetidin-1-ylcarbonyl)phenyl]oxy}-N-(1-ethyl-1H-pyrazol-3-yl)-5-{[(1S)-2-hydroxy-1-methylethyl]oxy}benzamide
Database identifiers
- PubChem CID
- 11626833
- ChEMBL
CHEMBL3219105
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 682
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Related reactions
1 records
Compound notes
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