2-Methoxy-4-(2-(3-methoxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
478502-92-0- Standard SMILES
COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)c1- InChIKey
DDFAECXGDCEJII-AFUMVMLFSA-N- Molecular formula
- C23H19ClN2O5
- Average molar mass
- 438.9 g/mol
- Monoisotopic mass
- 438.0982494
Names & identifiers
- Preferred name
- 2-Methoxy-4-(2-(3-methoxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [2-methoxy-4-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
- English name
- 2-Methoxy-4-(2-(3-methoxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- Molecular formula
- C23H19ClN2O5
- Molecular weight
- 438.86
Names & synonyms
AKOS0244045002-METHOXY-4-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATEBenzoic acid, 3-methoxy-, 2-[[4-[(4-chlorobenzoyl)oxy]-3-methoxyphenyl]methylene]hydrazide
Database identifiers
- CAS
478502-92-0- PubChem CID
- 9606847
- EC Number
- 114-412-4
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Density
- 1.261 · 1.261±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.928 · 11.928±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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