Zinc04953378
Basic information
- CAS
5376-16-9- Standard SMILES
COc1ccccc1/C=C(\C)C(=O)c1c(C)cc(C)[nH]c1=O- InChIKey
KRWOBNOVFYQQEE-ZRDIBKRKSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Names & identifiers
- Preferred name
- Zinc04953378
- IUPAC
- 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
Names & synonyms
5376-16-9ZINC04953378DTXSID20416821RefChem:388717DTXCID503676703-[3-(2-methoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone3-[(2E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethylpyridin-2(1H)-oneMLS001197203CHEMBL1889501HMS2869O04CCG-7682MFCD00851789
Show more names
AKOS0016240923-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-oneSMR000555399BIM-0019570.P001AK-968/112832203-[3-(2-methoxyphenyl)-2-methylacryloyl]-4,6-dimethylpyridin-2(1H)-one3-[(2E)-3-(2-METHOXYPHENYL)-2-METHYLPROP-2-ENOYL]-4,6-DIMETHYL-1,2-DIHYDROPYRIDIN-2-ONE
Database identifiers
- CAS
5376-16-9- PubChem CID
- 5339151
- DTXSID
DTXSID20416821- ChEMBL
CHEMBL1889501
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 569
Experimental & physicochemical properties
Solubility>44.6 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…