261946-00-3
Product Name:
5-[4-(TERT-BUTYL)PHENYL]-4-(2-FURYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C17H19N3OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 313.4 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 313.12488341 g/mol |
| Monoisotopic Mass | 313.12488341 g/mol |
| Topological Polar Surface Area | 72.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 449 |
| 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 |