430454-88-9
Product Name:
2-({[3-(4-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-5-(diethylamino)phenol
Formula:
C19H20ClN5OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.9 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 401.1077091 g/mol |
| Monoisotopic Mass | 401.1077091 g/mol |
| Topological Polar Surface Area | 95.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 574 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |