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Basic information
- Standard SMILES
COc1cc(C(C)=O)ccc1OC/C=C\CN1CCC(c2noc3cc(F)ccc23)CC1- InChIKey
GQFRLSVUJFIORU-ARJAWSKDSA-N- Molecular formula
- C25H27FN2O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.19548551
Names & identifiers
- Preferred name
- (Z)-1-[4-[[4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-butenyl]oxy]-3-methoxyphenyl]ethanone
- IUPAC
- 1-[4-[(Z)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-3-methoxyphenyl]ethanone
Names & synonyms
SCHEMBL1545462GQFRLSVUJFIORU-ARJAWSKDSA-N(Z)-1-[4-[[4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-butenyl]oxy]-3-methoxyphenyl]ethanone
Database identifiers
- PubChem CID
- 67071079
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 639
Related reactions
3 records
Compound notes
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