72973-01-4
Product Name:
Phosphorothioic acid, O,O-diethyl S-[(4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl] ester, (2α,3β,4α,6α)- (9CI)
Formula:
C24H30NO4PS
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.5 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 459.16331661 g/mol |
| Monoisotopic Mass | 459.16331661 g/mol |
| Topological Polar Surface Area | 93.1 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 670 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |