Basic information
- Standard SMILES
O[C@@H](COc1cccc(-c2noc3ncccc23)c1)CN1CCC(Oc2cccc(Cl)c2)CC1- InChIKey
RHUNBODMELYZBY-HXUWFJFHSA-N- Molecular formula
- C26H26ClN3O4
- Average molar mass
- 480 g/mol
Names & identifiers
- Preferred name
- (R)-1-[4-(3-chloro-phenoxy)-piperidin-1-yl]-3-(3-isoxazolo[5,4-b]pyridin-3-yl-phenoxy)-propan-2-ol
- IUPAC
- (2R)-1-[4-(3-chlorophenoxy)piperidin-1-yl]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
Names & synonyms
SCHEMBL1382300RHUNBODMELYZBY-HXUWFJFHSA-N(R)-1-[4-(3-chloro-phenoxy)-piperidin-1-yl]-3-(3-isoxazolo[5,4-b]pyridin-3-yl-phenoxy)-propan-2-ol
Database identifiers
- PubChem CID
- 58928271
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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