1263205-96-4
Product Name:
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(diMethylaMino)cyclohexyl]aMino]-Cyclobutene-1,2-dione
Formula:
C20H21F6N3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 449.4 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 449.15379589 g/mol |
| Monoisotopic Mass | 449.15379589 g/mol |
| Topological Polar Surface Area | 61.4 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 724 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |