318949-12-1
Product Name:
1-(1-METHYL-5-[(4-METHYLPHENYL)SULFANYL]-3-PHENYL-1H-PYRAZOL-4-YL)-3-PHENYL-2-PROPYN-1-OL
Formula:
C26H22N2OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 410.5 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 410.14528450 g/mol |
| Monoisotopic Mass | 410.14528450 g/mol |
| Topological Polar Surface Area | 63.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |