318237-85-3
Product Name:
3-[1-(4-METHYLBENZOYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]PROPYL 4-METHYLBENZENECARBOXYLATE
Formula:
C23H21F3N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 430.4 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 430.15042702 g/mol |
| Monoisotopic Mass | 430.15042702 g/mol |
| Topological Polar Surface Area | 61.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 612 |
| 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 |