951987-87-4
Product Name:
(3E)-2-(2-hydroxyethyl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
Formula:
C21H22N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.5 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 398.13002836 g/mol |
| Monoisotopic Mass | 398.13002836 g/mol |
| Topological Polar Surface Area | 86.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 729 |
| 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 |