306936-86-7
Product Name:
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C14H11N3O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 301.32 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 301.05211239 g/mol |
| Monoisotopic Mass | 301.05211239 g/mol |
| Topological Polar Surface Area | 91.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 459 |
| 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 |