351191-96-3
Product Name:
2-cyano-3-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H -pyrrol-3-yl]-N-{4-[(difluoromethyl)sulfanyl]phenyl }prop-2-enamide
Formula:
C23H17Cl2F2N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 492.4 g/mol |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 491.0437451 g/mol |
| Monoisotopic Mass | 491.0437451 g/mol |
| Topological Polar Surface Area | 83.1 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 738 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |