489409-00-9
Product Name:
N-{6-nitro-1,3-benzothiazol-2-yl}-4-({3-nitro-1H-pyrazol-1-yl}methyl)benzamide
Formula:
C18H12N6O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 424.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 424.05898868 g/mol |
| Monoisotopic Mass | 424.05898868 g/mol |
| Topological Polar Surface Area | 180 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 664 |
| 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 |