65274-83-1
Product Name:
1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-pip erazinyl)ethyl)-, phenylmethyl ester, (E)-2-butenedioate (1:2)
Formula:
C25H31F3N4O2.2C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 708.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 11 |
| Exact Mass | 708.26182794 g/mol |
| Monoisotopic Mass | 708.26182794 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 747 |
| 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 |