339018-08-5
Product Name:
ETHYL 4-([(5-IODO-2-PYRIDINYL)AMINO]CARBONYL)-5-METHYL-3-ISOXAZOLECARBOXYLATE
Formula:
C13H12IN3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.16 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 400.98725 g/mol |
| Monoisotopic Mass | 400.98725 g/mol |
| Topological Polar Surface Area | 94.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 396 |
| 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 |