325694-63-1
Product Name:
2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Formula:
C23H16ClN3O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 449.9 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 449.0600902 g/mol |
| Monoisotopic Mass | 449.0600902 g/mol |
| Topological Polar Surface Area | 91.5 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 615 |
| 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 |