338750-11-1
Product Name:
3-(2-CHLOROPHENYL)-N-([3-(4-METHOXYPHENYL)-5-ISOXAZOLYL]METHYL)-5-ISOXAZOLECARBOXAMIDE
Formula:
C21H16ClN3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.8 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 409.0829337 g/mol |
| Monoisotopic Mass | 409.0829337 g/mol |
| Topological Polar Surface Area | 90.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 546 |
| 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 |