Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)c(F)c3)c3c(c2)OC(C)(CO)C3)nc1- InChIKey
CCFYJFIRLYYRLS-UHFFFAOYSA-N- Molecular formula
- C27H26FN3O5
- Average molar mass
- 491.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-(Azetidine-1-carbonyl)-3-fluoro-phenoxy]-2-hydroxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid (5-methyl-pyridin-2-yl)-amide
- IUPAC
- 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2-(hydroxymethyl)-2-methyl-N-(5-methyl-2-pyridinyl)-3H-1-benzofuran-6-carboxamide
Names & synonyms
SCHEMBL645047CHEMBL3580738CCFYJFIRLYYRLS-UHFFFAOYSA-N4-[4-(Azetidine-1-carbonyl)-3-fluoro-phenoxy]-2-hydroxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid (5-methyl-pyridin-2-yl)-amide
Database identifiers
- PubChem CID
- 59560375
- ChEMBL
CHEMBL3580738
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 812
Related reactions
3 records
Compound notes
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