337920-12-4
Product Name:
Ethyl 4-([5-(([3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]carbonyl)-3-isoxazolecarboxylate
Formula:
C17H14ClF3N4O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.8 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 446.0604817 g/mol |
| Monoisotopic Mass | 446.0604817 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 680 |
| 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 |