712270-97-8
Product Name:
2-{[5-HYDROXY-4-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE
Formula:
C18H13N5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 379.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 379.07391047 g/mol |
| Monoisotopic Mass | 379.07391047 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 596 |
| 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 |