1025575-51-2
Product Name:
3-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE
Formula:
C21H17N3O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 423.5 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 423.07113376 g/mol |
| Monoisotopic Mass | 423.07113376 g/mol |
| Topological Polar Surface Area | 153 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 719 |
| 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 |