799770-33-5
Product Name:
dimethyl (E)-5-((2-(4-(4-chlorophenyl)thiazol-2-yl)-2-cyanovinyl)amino)isophthalate
Formula:
C22H16ClN3O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 453.9 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 453.0550049 g/mol |
| Monoisotopic Mass | 453.0550049 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 708 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |