338395-80-5
Product Name:
METHYL 4-[(4-METHYLPHENYL)SULFANYL]-6-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLATE
Formula:
C20H15F3N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 420.4 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 420.07554800 g/mol |
| Monoisotopic Mass | 420.07554800 g/mol |
| Topological Polar Surface Area | 84.3 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 700 |
| 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 |