311765-45-4
Product Name:
(E)-N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
Formula:
C28H27N3O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 501.7 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 501.15446946 g/mol |
| Monoisotopic Mass | 501.15446946 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 715 |
| 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 |