680580-06-7
Product Name:
2-Benzothiazolecarboxamide, N-[2-(4-chlorophenyl)ethyl]-7-nitro-5-(trifluoromethyl)-, 3-oxide
Formula:
C17H11ClF3N3O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 445.8 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 445.0110892 g/mol |
| Monoisotopic Mass | 445.0110892 g/mol |
| Topological Polar Surface Area | 129 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 616 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |