713129-81-8
Product Name:
4-(4-bromophenyl)-1-cyclopentyl-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Formula:
C18H20BrN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.3 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 405.05105 g/mol |
| Monoisotopic Mass | 405.05105 g/mol |
| Topological Polar Surface Area | 72.2 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 465 |
| 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 |