4-(2-(((2-Chlorobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate
Basic information
- CAS
880033-88-5- Standard SMILES
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1- InChIKey
ZPBJVPDSPYFQDA-WXNIQMSDSA-N- Molecular formula
- C25H20ClN3O4
- Average molar mass
- 461.9 g/mol
- Monoisotopic mass
- 461.1142338
Names & identifiers
- Preferred name
- 4-(2-(((2-Chlorobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate
- IUPAC
- [4-[(E)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
- English name
- 4-(2-(((2-Chlorobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate
- Molecular formula
- C25H20ClN3O4
- Molecular weight
- 461.9
Names & synonyms
AKOS0243994714-(2-(((2-CHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-PHENYLACRYLATE2-Propenoic acid, 3-phenyl-, 4-[[2-[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
880033-88-5- PubChem CID
- 9606418
- EC Number
- 145-569-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 712
Physicochemical properties
- Density
- 1.245 · 1.245±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.912 · 11.912±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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