955966-81-1
Product Name:
ETHYL 1-[4-(3-PYRIDINYL)-1,3-THIAZOL-2-YL]-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C15H11F3N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 368.3 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 368.05548127 g/mol |
| Monoisotopic Mass | 368.05548127 g/mol |
| Topological Polar Surface Area | 98.1 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 482 |
| 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 |