861206-72-6
Product Name:
2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-5-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Formula:
C16H9ClF6N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 422.71 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 422.0369076 g/mol |
| Monoisotopic Mass | 422.0369076 g/mol |
| Topological Polar Surface Area | 48.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 640 |
| 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 |