321534-65-0
Product Name:
1-Benzyl-5-(1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-5-yl)-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
Formula:
C27H18ClF4N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 555.9 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 555.1085152 g/mol |
| Monoisotopic Mass | 555.1085152 g/mol |
| Topological Polar Surface Area | 71.3 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 922 |
| 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 |