318949-15-4
Product Name:
1-(5-[(4-CHLOROPHENYL)SULFANYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)-2-HEPTYN-1-OL
Formula:
C23H23ClN2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.0 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 410.1219622 g/mol |
| Monoisotopic Mass | 410.1219622 g/mol |
| Topological Polar Surface Area | 63.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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 |