5-(6-Dihydroxymethyl-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
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Basic information
- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(Oc3cc(C(O)O)ncn3)ccc21- InChIKey
SWQJYTXOVMYKKU-UHFFFAOYSA-N- Molecular formula
- C21H17F3N4O4
- Average molar mass
- 446.4 g/mol
Names & identifiers
- Preferred name
- 5-(6-Dihydroxymethyl-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
- IUPAC
- 5-[6-(dihydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
Names & synonyms
5-(6-Dihydroxymethyl-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amideSCHEMBL12972413
Database identifiers
- PubChem CID
- 59596384
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 653
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Related reactions
1 records
Compound notes
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