137020-24-7
Product Name:
1-(3,4-Diphenyl-5-piperidino-thien-2-yl)-3-(2,5-dihydro-3,4-diphenyl-5-piperidin-1-ylidene-onium-thien-2-ylidene)-2-oxo-cyclobuten-4-olate
Formula:
C46H40N2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 717.0 g/mol |
|---|---|
| XLogP3 | 10.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 716.25312087 g/mol |
| Monoisotopic Mass | 716.25312087 g/mol |
| Topological Polar Surface Area | 99.9 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1310 |
| 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 |