577699-81-1
Product Name:
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one
Formula:
C27H22N2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 486.5 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 486.14270105 g/mol |
| Monoisotopic Mass | 486.14270105 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 870 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |