2-Ethoxy-4-(2-((2-methoxyanilino)(oxo)AC)carbohydrazonoyl)PH 4-propoxybenzoate
Basic information
- CAS
868569-25-9- Standard SMILES
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2OCC)cc1- InChIKey
SUGPGQUFYJCAQF-RDRPBHBLSA-N- Molecular formula
- C28H29N3O7
- Average molar mass
- 519.5 g/mol
- Monoisotopic mass
- 519.20055027
Names & identifiers
- Preferred name
- 2-Ethoxy-4-(2-((2-methoxyanilino)(oxo)AC)carbohydrazonoyl)PH 4-propoxybenzoate
- IUPAC
- [2-ethoxy-4-[(E)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
- English name
- 2-Ethoxy-4-(2-((2-methoxyanilino)(oxo)Ac)carbohydrazonoyl)Ph 4-propoxybenzoate
- Molecular formula
- C28H29N3O7
- Molecular weight
- 519.55
Names & synonyms
AKOS0244140282-ETHOXY-4-(2-((2-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATEBenzoic acid, 4-propoxy-, 2-ethoxy-4-[[2-[2-[(2-methoxyphenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
868569-25-9- PubChem CID
- 9635649
- EC Number
- 136-556-7
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 784
Physicochemical properties
- Density
- 1.218 · 1.218±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.719 · 9.719±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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