Basic information
- CAS
904006-82-2- Standard SMILES
CC1CCN(CCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1- InChIKey
WTDXPLBIVRTXGM-UHFFFAOYSA-N- Molecular formula
- C23H25NO3
- Average molar mass
- 363.4 g/mol
Names & identifiers
- Preferred name
- 7-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenyl-4H-chromen-4-one
- IUPAC
- 7-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenylchromen-4-one
- English name
- 7-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenyl-4H-chromen-4-one
- Molecular formula
- C23H25NO3
- Molecular weight
- 363.45
Names & synonyms
904006-82-27-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenyl-4H-chromen-4-one7-(2-(4-methylpiperidin-1-yl)ethoxy)-3-phenyl-4H-chromen-4-one7-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenylchromen-4-oneSTK601168AKOS002289172NCGC00283748-01ST50476600AB01288039-017-[2-(4-methylpiperidyl)ethoxy]-3-phenylchromen-4-oneF3385-38774H-1-Benzopyran-4-one, 7-[2-(4-methyl-1-piperidinyl)ethoxy]-3-phenyl-
Database identifiers
- CAS
904006-82-2
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 533.7 · 533.7±50.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.10(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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