338749-77-2
Product Name:
1-(1-[2-Chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl)-2,2,2-trifluoro-1-ethanone
Formula:
C21H14ClF6NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 509.8 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 509.0287111 g/mol |
| Monoisotopic Mass | 509.0287111 g/mol |
| Topological Polar Surface Area | 64.5 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 819 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |