2-Propenoic acid, 3-(3-fluorophenyl)-, 2-[[4-[2-(2-methoxyphenyl)diazenyl]-3-methylphenyl]amino]-2-oxoethyl ester
Basic information
- CAS
723327-03-5- Standard SMILES
COc1ccccc1N=Nc1ccc(NC(=O)COC(=O)C=Cc2cccc(F)c2)cc1C- InChIKey
RHEGBFHUCUXHER-UHFFFAOYSA-N- Molecular formula
- C25H22FN3O4
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.15943435
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(3-fluorophenyl)-, 2-[[4-[2-(2-methoxyphenyl)diazenyl]-3-methylphenyl]amino]-2-oxoethyl ester
- IUPAC
- [2-[4-[(2-methoxyphenyl)diazenyl]-3-methylanilino]-2-oxoethyl] 3-(3-fluorophenyl)prop-2-enoate
Names & synonyms
DTXSID601040192AKOS0306421222-Propenoic acid, 3-(3-fluorophenyl)-, 2-[[4-[2-(2-methoxyphenyl)diazenyl]-3-methylphenyl]amino]-2-oxoethyl ester723327-03-5
Database identifiers
- CAS
723327-03-5- PubChem CID
- 4434828
- DTXSID
DTXSID601040192
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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