568574-87-8
Product Name:
4-ALLYL-5-[(4-TERT-BUTYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C16H21N3OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 303.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 303.14053348 g/mol |
| Monoisotopic Mass | 303.14053348 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 420 |
| 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 |