909659-29-6
Product Name:
1-[2-(4-CHLOROPHENOXY)ETHYL]-4-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)-1,4-DIAZEPAN-5-ONE
Formula:
C20H21ClF3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.8 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 427.1274391 g/mol |
| Monoisotopic Mass | 427.1274391 g/mol |
| Topological Polar Surface Area | 45.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |