16588-67-3
Product Name:
3-[ethyl[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile
Formula:
C20H21N5O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.5 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 427.11366728 g/mol |
| Monoisotopic Mass | 427.11366728 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 729 |
| 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 |