Basic information
- Standard SMILES
COc1cccc(NC(=O)c2ccc(C)c(-c3ccc4c(C5CCNCC5)noc4c3)c2)c1- InChIKey
PIGDDAOEPMZEKE-UHFFFAOYSA-N- Molecular formula
- C27H27N3O3
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- N-(3-Methoxyphenyl)-4-methyl-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
- IUPAC
- N-(3-methoxyphenyl)-4-methyl-3-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)benzamide
Names & synonyms
SCHEMBL3525945PIGDDAOEPMZEKE-UHFFFAOYSA-NN-(3-Methoxyphenyl)-4-methyl-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
Database identifiers
- PubChem CID
- 10478482
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 655
Related reactions
2 records
Compound notes
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