184177-83-1
Product Name:
2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one,
Formula:
C30H35N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 513.6 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 513.27399000 g/mol |
| Monoisotopic Mass | 513.27399000 g/mol |
| Topological Polar Surface Area | 71.8 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 766 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |