124953-71-5
Product Name:
4-BENZYL-5-(4-TERT-BUTYL-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula:
C19H21N3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | <0.2 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 323.5 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 323.14561886 g/mol |
| Monoisotopic Mass | 323.14561886 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 452 |
| 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 |