1133419-00-7
Product Name:
Ethyl 7-Chloro-5-oxo-1-toxyl-2,3,4,5,-tetrahydro-1H-benzo[b]azepine-4-carboxylate
Formula:
C20H20ClNO5S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 421.9 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 421.0750716 g/mol |
| Monoisotopic Mass | 421.0750716 g/mol |
| Topological Polar Surface Area | 89.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 683 |
| 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 |