337920-28-2
Product Name:
5-[3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOL-5-YL]-5-METHYL-2-PHENYL-1,2,4-TRIAZOLAN-3-ONE
Formula:
C22H17ClN4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 404.8 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 404.1040035 g/mol |
| Monoisotopic Mass | 404.1040035 g/mol |
| Topological Polar Surface Area | 70.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 608 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |