84916-44-9
Product Name:
Cyclohexanecarboxylic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7- methano-2H-isoindol-2-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)et hyl ester, (Z)-2-butenedioate (1:2)
Formula:
C32H40N4O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 724.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 12 |
| Exact Mass | 724.29557285 g/mol |
| Monoisotopic Mass | 724.29557285 g/mol |
| Topological Polar Surface Area | 232 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 968 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |