65274-81-9
Product Name:
1-Piperazinecarboxylic acid, 4-(2-(4-(4-fluorophenyl)-1-piperazinyl)et hyl)-, phenylmethyl ester, (E)-2-butenedioate (1:2)
Formula:
C24H31FN4O2.2C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 658.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 11 |
| Exact Mass | 658.26502162 g/mol |
| Monoisotopic Mass | 658.26502162 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 655 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |