332947-80-5
Product Name:
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Formula:
C24H21ClN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 449.0 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 448.1124602 g/mol |
| Monoisotopic Mass | 448.1124602 g/mol |
| Topological Polar Surface Area | 85.1 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 580 |
| 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 |