338770-12-0
Product Name:
1-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-5-[3-(DIMETHYLAMINO)ACRYLOYL]-3-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Formula:
C18H19ClF3N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.8 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 445.1128517 g/mol |
| Monoisotopic Mass | 445.1128517 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 741 |
| 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 |