2376068-96-9
Product Name:
3-Pyrrolidinol, 3-(trifluoromethyl)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]-, (3S)-, compd. with methanesulfonate (1:1)
Formula:
C20H14F9N7O.CH4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 635.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 4 |
| Exact Mass | 635.09972671 g/mol |
| Monoisotopic Mass | 635.09972671 g/mol |
| Topological Polar Surface Area | 163 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 875 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |