338422-36-9
Product Name:
1-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-3-(phenylsulfanyl)dihydro-1H-pyrrole-2,5-dione
Formula:
C18H15ClF3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 429.8 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 429.0525601 g/mol |
| Monoisotopic Mass | 429.0525601 g/mol |
| Topological Polar Surface Area | 87.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 575 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |