159885-63-9
Product Name:
ETHYL 1-[4-(4-CHLOROPHENYL)-1,3-THIAZOL-2-YL]-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C16H11ClF3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.8 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.0212600 g/mol |
| Monoisotopic Mass | 401.0212600 g/mol |
| Topological Polar Surface Area | 85.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 506 |
| 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 |