4-BR-2-(2-(((3,4,5-Trimethoxybenzoyl)amino)AC)carbohydrazonoyl)PH 2-ME-benzoate
Basic information
- CAS
880056-14-4- Standard SMILES
COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc(OC)c1OC- InChIKey
KSGULXBCNPPGKP-AMVVHIIESA-N- Molecular formula
- C27H26BrN3O7
- Average molar mass
- 584.4 g/mol
- Monoisotopic mass
- 583.09541
Names & identifiers
- Preferred name
- 4-BR-2-(2-(((3,4,5-Trimethoxybenzoyl)amino)AC)carbohydrazonoyl)PH 2-ME-benzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
- English name
- 4-Br-2-(2-(((3,4,5-trimethoxybenzoyl)amino)Ac)carbohydrazonoyl)Ph 2-Me-benzoate
- Molecular formula
- C27H26BrN3O7
- Molecular weight
- 584.42
Names & synonyms
AKOS0244116694-BR-2-(2-(((3,4,5-TRIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-ME-BENZOATEBenzoic acid, 2-methyl-, 4-bromo-2-[[2-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
880056-14-4- PubChem CID
- 9664352
- EC Number
- 131-343-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 814
Physicochemical properties
- Density
- 1.385 · 1.385±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.693 · 11.693±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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