1160514-60-2
Product Name:
1-[4-[(2,3,3-Trichloro-1-oxo-2-propen-1-yl)amino]phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid
Formula:
C16H11Cl3F3N3O3
Synonyms:
Ethyl-1-(4-(2,3,3-trichloroacrylamide)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;Ethyl-1-(4-(2,3,3-trichloroacrylamide)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, SB-360475, CRAC Channel Inhibitor II;TRPC3 Channel Inhibitor, Pyr3 - CAS 1160514-60-2 - Calbiochem
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.6 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 454.981809 g/mol |
| Monoisotopic Mass | 454.981809 g/mol |
| Topological Polar Surface Area | 73.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 621 |
| 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 |