587003-95-0
Product Name:
4-(4-bromophenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Formula:
C20H24BrN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 450.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 449.07726 g/mol |
| Monoisotopic Mass | 449.07726 g/mol |
| Topological Polar Surface Area | 81.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 555 |
| 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 |