748793-44-4
Product Name:
3H-1,2,4-Triazole-3-thione, 5-[(4-chloro-2-methylphenoxy)methyl]-4-(4-ethoxyphenyl)-2,4-dihydro-
Formula:
C18H18ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 375.9 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 375.0808257 g/mol |
| Monoisotopic Mass | 375.0808257 g/mol |
| Topological Polar Surface Area | 78.2 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 497 |
| 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 |