318949-13-2
Product Name:
1-(1-METHYL-5-[(4-METHYLPHENYL)SULFANYL]-3-PHENYL-1H-PYRAZOL-4-YL)-2-HEPTYN-1-OL
Formula:
C24H26N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 390.5 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 390.17658463 g/mol |
| Monoisotopic Mass | 390.17658463 g/mol |
| Topological Polar Surface Area | 63.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 527 |
| 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 |