2-[2-bromo-6-methoxy-4-[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
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Basic information
- CAS
664992-48-7- Standard SMILES
COc1ccccc1NC(=O)COc1c(Br)cc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1OC- InChIKey
GLKGYXSIQPVBDF-UHFFFAOYSA-N- Molecular formula
- C27H23BrN4O7
- Average molar mass
- 595.4 g/mol
- Monoisotopic mass
- 594.07501
Names & identifiers
- Preferred name
- 2-[2-bromo-6-methoxy-4-[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
- IUPAC
- 2-[2-bromo-6-methoxy-4-[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
- English name
- 2-{2-bromo-4-[(1-{4-nitrophenyl}-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-6-methoxyphenoxy}-N-(2-methoxyphenyl)acetamide
- Molecular formula
- C27H23BrN4O7
- Molecular weight
- 595.4
Names & synonyms
2-{2-bromo-4-[(1-{4-nitrophenyl}-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-6-methoxyphenoxy}-N-(2-methoxyphenyl)acetamideAcetamide, 2-[2-bromo-4-[[1,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]-6-methoxyphenoxy]-N-(2-methoxyphenyl)-
Database identifiers
- CAS
664992-48-7- PubChem CID
- 4458758
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 962
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 12.39 · 12.39±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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