33625-61-5
Product Name:
3-[4-[(acetylamino)sulphonyl]butyl]-5-cyano-2-[3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-1H-benzimidazolium bromide
Formula:
C31H36BrN7O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 666.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 665.17837 g/mol |
| Monoisotopic Mass | 665.17837 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1230 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |