431982-94-4
Product Name:
N-[(Z)-3-(ethylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
Formula:
C25H22N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 442.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 442.14634713 g/mol |
| Monoisotopic Mass | 442.14634713 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 673 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |