523992-09-8
Product Name:
methyl [1-(1,3-benzothiazol-2-yl)-5-oxo-4-(4-toluidinomethylene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Formula:
C21H18N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 406.10996162 g/mol |
| Monoisotopic Mass | 406.10996162 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 702 |
| 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 |