Basic information
- Standard SMILES
C[C@H](Oc1ccc(-c2ccc(NC(N)=O)cc2)cc1)[C@H](O)CCc1cccnc1- InChIKey
VJNJWMIMSQRILY-KSFYIVLOSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- (1S,2R)-[4'-(2-Hydroxy-1-methyl-4-pyridin-3-yl-butoxy)biphenyl-4-yl]urea
- IUPAC
- [4-[4-[(2S,3R)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]phenyl]urea
Names & synonyms
SCHEMBL7976682VJNJWMIMSQRILY-KSFYIVLOSA-N(1S,2R)-[4'-(2-Hydroxy-1-methyl-4-pyridin-3-yl-butoxy )biphenyl-4-yl]urea
Database identifiers
- PubChem CID
- 59970488
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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