899382-99-1
Product Name:
1-(3,4-dichlorophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Formula:
C21H14Cl2N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 441.3 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 440.0265376 g/mol |
| Monoisotopic Mass | 440.0265376 g/mol |
| Topological Polar Surface Area | 86 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 551 |
| 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 |