Basic information
- CAS
868565-42-8- Standard SMILES
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3C)cc2OC)cc1- InChIKey
BNDZHUOYQICNFF-OCSSWDANSA-N- Molecular formula
- C28H29N3O6
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.20563565
Names & identifiers
- Preferred name
- 2-Meo-4-(2-(((2-methylbenzoyl)amino)AC)carbohydrazonoyl)phenyl 4-propoxybenzoate
- IUPAC
- [2-methoxy-4-[(E)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
- English name
- 2-MeO-4-(2-(((2-methylbenzoyl)amino)Ac)carbohydrazonoyl)phenyl 4-propoxybenzoate
- Molecular formula
- C28H29N3O6
- Molecular weight
- 503.55
Names & synonyms
AKOS0244138902-MEO-4-(2-(((2-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATEBenzoic acid, 4-propoxy-, 2-methoxy-4-[[2-[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
868565-42-8- PubChem CID
- 9664858
- EC Number
- 136-392-6
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 767
Physicochemical properties
- Density
- 1.199 · 1.199±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.877 · 11.877±0.46(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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