521327-99-1
Product Name:
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-fluorophenyl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Formula:
C21H19FN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 394.5 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 394.12636058 g/mol |
| Monoisotopic Mass | 394.12636058 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 659 |
| 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 |