403843-14-1
Product Name:
Ethanone, 1-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-[(4,5-dihydro-2-thiazolyl)thio]-
Formula:
C19H19N3OS3
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.6 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.06902576 g/mol |
| Monoisotopic Mass | 401.06902576 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 587 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |