899809-60-0
Product Name:
2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)-
Formula:
C26H24N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.5 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 444.16852187 g/mol |
| Monoisotopic Mass | 444.16852187 g/mol |
| Topological Polar Surface Area | 92.4 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 814 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |