587001-63-6
Product Name:
(5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Formula:
C20H17N3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 411.08889182 g/mol |
| Monoisotopic Mass | 411.08889182 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 712 |
| 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 |