376623-71-1
Product Name:
3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Formula:
C29H25ClF3N3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 540.0 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 539.1587392 g/mol |
| Monoisotopic Mass | 539.1587392 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 923 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |