[[2,2,2-Trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 2-methylpropanoate
Basic information
- CAS
4698-34-4- Standard SMILES
Cc1c(C(=NOC(=O)C(C)C)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1- InChIKey
JFEFVXMJYHKOJB-UHFFFAOYSA-N- Molecular formula
- C24H22F4N2O4S
- Average molar mass
- 510.5 g/mol
- Monoisotopic mass
- 510.12364101
Names & identifiers
- Preferred name
- [[2,2,2-Trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 2-methylpropanoate
- IUPAC
- [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 2-methylpropanoate
Names & synonyms
4698-34-4[[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 2-methylpropanoateDTXSID104110872-Methyl-1-{[(2,2,2-trifluoro-1-{1-(4-fluorophenyl)-5-[4-(methanesulfonyl)phenyl]-2-methyl-1H-pyrrol-3-yl}ethylidene)amino]oxy}propan-1-one
Database identifiers
- CAS
4698-34-4- PubChem CID
- 5221707
- DTXSID
DTXSID10411087
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 871
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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