385436-79-3
Product Name:
CP-802079 Hydrochloride Hydrate
Formula:
C22H22Cl2N2O4S
Synonyms:
({3-(4-Chlorophenyl)-3-[4-(thiazole-carbonyl)-phenoxy]-propyl}-methyl-amino)-acetic acid hydrochloride hydrate;N-[3-(4-Chlorophenyl)-3-[4-(2-thiazolylcarbonyl)phenoxy]propyl]-N-methyl-glycine hydrochloride hydrate
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COMPUTED DESCRIPTORS
| Molecular Weight | 499.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 498.0782984 g/mol |
| Monoisotopic Mass | 498.0782984 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 565 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |