883019-23-6
Product Name:
4-(4-CHLORO-PHENYL)-5-(3,4-DIMETHOXY-BENZYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula:
C17H16ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 361.8 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 361.0651756 g/mol |
| Monoisotopic Mass | 361.0651756 g/mol |
| Topological Polar Surface Area | 78.2 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 483 |
| 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 |