477853-18-2
Product Name:
1-(2,4-DICHLOROBENZYL)-3-[4-METHYL-5-(METHYLSULFANYL)-4H-1,2,4-TRIAZOL-3-YL]-2(1H)-PYRIDINONE
Formula:
C16H14Cl2N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 381.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 380.0265376 g/mol |
| Monoisotopic Mass | 380.0265376 g/mol |
| Topological Polar Surface Area | 76.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 544 |
| 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 |