149184-21-4
Product Name:
CGP 54626 HYDROCHLORIDE
Formula:
C18H27Cl2NO3PT
Synonyms:
[3-[N-[(1S)-1-(3,4-Dichlorophenyl)ethyl]amino]-(2S)-hydroxypropyl](cyclohexylmethyl)phosphinic acid hydrochloride;[S-(R*,R*)]-[3-[[1-(3,4-Dichlorophenyl)ethyl]amino]-2-hydroxypropyl](cyclohexylmethyl) phosphinic acid hydrochloride;CGP-54626A;Cyclohexylmethyl((S)-3-((S)-1-(3,4-dichlorophenyl)ethylamino)-2-hydroxypropyl)phosphinic acid hydrochloride;P-(Cyclohexylmethyl)-P -[(2S )-3-[[(1S )-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-phosphinic acid hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 443.095064 g/mol |
| Monoisotopic Mass | 443.095064 g/mol |
| Topological Polar Surface Area | 69.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 448 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |