221177-56-6
Product Name:
rac 5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)-benzenemethanol
Formula:
C21H19ClF3NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.8 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 409.1056410 g/mol |
| Monoisotopic Mass | 409.1056410 g/mol |
| Topological Polar Surface Area | 41.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 589 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |