652973-93-8
Product Name:
Calhex 231
Formula:
C25H27ClN2O
Synonyms:
4-Chloro-N-[(1S,2S)-2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]cyclohexyl]-benzamide hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.9 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 406.1811912 g/mol |
| Monoisotopic Mass | 406.1811912 g/mol |
| Topological Polar Surface Area | 41.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 533 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |