Basic information
- CAS
494757-05-0- Standard SMILES
COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1cccc(F)c1- InChIKey
PVUQVEPJWMXCJM-UHFFFAOYSA-N- Molecular formula
- C24H18FN3O5S
- Average molar mass
- 479.5 g/mol
Names & identifiers
- Preferred name
- [4-[[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-fluorobenzoate
- IUPAC
- [4-[[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-fluorobenzoate
- English name
- 4-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbohydrazonoyl}-2-methoxyphenyl 3-fluorobenzoate
- Molecular formula
- C24H18FN3O5S
- Molecular weight
- 479.48
Names & synonyms
4-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]carbohydrazonoyl}-2-methoxyphenyl 3-fluorobenzoateBenzoic acid, 3-fluoro-, 4-[[2-[2-(2-benzoxazolylthio)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl ester
Database identifiers
- CAS
494757-05-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 729
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 11.47 · 11.47±0.46(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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