714923-51-0
Product Name:
1-cycloheptyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Formula:
C19H22N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.5 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 402.13617637 g/mol |
| Monoisotopic Mass | 402.13617637 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 684 |
| 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 |