1401565-26-1
Product Name:
ethyl 2-(4-(2-chlorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl)acetate
Formula:
C17H18ClN3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 379.9 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 379.0757403 g/mol |
| Monoisotopic Mass | 379.0757403 g/mol |
| Topological Polar Surface Area | 98.5 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 510 |
| 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 |