499103-30-9
Product Name:
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
Formula:
C25H32N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.6 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 452.22459745 g/mol |
| Monoisotopic Mass | 452.22459745 g/mol |
| Topological Polar Surface Area | 85.6 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 579 |
| 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 |