Basic information
- CAS
731780-89-5- Standard SMILES
Cc1cc(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c(C)n1-c1ccc(OC(F)F)cc1- InChIKey
LGSJGPIXXYPYGY-UHFFFAOYSA-N- Molecular formula
- C30H28F2N4O4
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.20786171
Names & identifiers
- Preferred name
- Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester
- IUPAC
- [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Names & synonyms
DTXSID401039230AKOS030643130731780-89-5Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl esterZ18987050
Database identifiers
- CAS
731780-89-5- PubChem CID
- 3937014
- DTXSID
DTXSID401039230
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 859
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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