321433-42-5
Product Name:
Dimethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate
Formula:
C16H14ClF3N4O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 466.75 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 466.0503110 g/mol |
| Monoisotopic Mass | 466.0503110 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 782 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |