4-BR-2-(2-(((3-Methylbenzoyl)amino)AC)carbohydrazonoyl)phenyl 4-propoxybenzoate
Basic information
- CAS
868383-58-8- Standard SMILES
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1- InChIKey
LPFMVVXFMHUZQG-OKCVXOCRSA-N- Molecular formula
- C27H26BrN3O5
- Average molar mass
- 552.4 g/mol
- Monoisotopic mass
- 551.10558
Names & identifiers
- Preferred name
- 4-BR-2-(2-(((3-Methylbenzoyl)amino)AC)carbohydrazonoyl)phenyl 4-propoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
- English name
- 4-Br-2-(2-(((3-methylbenzoyl)amino)Ac)carbohydrazonoyl)phenyl 4-propoxybenzoate
- Molecular formula
- C27H26BrN3O5
- Molecular weight
- 552.42
Names & synonyms
AKOS0244133574-BR-2-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATEBenzoic acid, 4-propoxy-, 4-bromo-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
868383-58-8- PubChem CID
- 9658367
- EC Number
- 135-865-4
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Density
- 1.344 · 1.344±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.81 · 11.810±0.46(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…