929850-73-7
Product Name:
(4E)-4-[(4-butylanilino)methylidene]-2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-one
Formula:
C19H25N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 375.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 375.16166284 g/mol |
| Monoisotopic Mass | 375.16166284 g/mol |
| Topological Polar Surface Area | 87.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 685 |
| 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 |