4-(cis-3,4-Dihydroxypyrrolidin-1-yl)-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
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Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@@H](O)[C@@H](O)C2)c(-c2cncnc2)c1- InChIKey
WKZIKPYEJBZHNQ-BGYRXZFFSA-N- Molecular formula
- C22H19F3N4O4
- Average molar mass
- 460.4 g/mol
Names & identifiers
- Preferred name
- 4-(cis-3,4-Dihydroxypyrrolidin-1-yl)-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
- IUPAC
- 4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
Names & synonyms
4-(cis-3,4-Dihydroxypyrrolidin-1-yl)-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamideCHEMBL3907269SCHEMBL15393105BDBM213418US9278981, 10
Database identifiers
- PubChem CID
- 89908007
- ChEMBL
CHEMBL3907269
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
Related reactions
1 records
Compound notes
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