139255-45-1
Product Name:
3-(2-Piperidino-thien-2-yl)-5-(2,5-dihydro-4-methyl-2-piperidin-1-ylidene-onium-thien-5-ylidene)-1,2-dioxo-cyclopenten-4-olate
Formula:
C23H24N2O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.6 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 454.13848504 g/mol |
| Monoisotopic Mass | 454.13848504 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 933 |
| 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 |