353772-33-5
Product Name:
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(butan-2-ylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Formula:
C17H17F3N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 382.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 382.10751684 g/mol |
| Monoisotopic Mass | 382.10751684 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 634 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |