896851-60-8
Product Name:
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
Formula:
C21H19ClN2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.9 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 446.0703206 g/mol |
| Monoisotopic Mass | 446.0703206 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 837 |
| 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 |