329702-99-0
Product Name:
4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl 3-chlorobenzo[b]thiophene-2-carboxylate
Formula:
C22H15ClN2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.9 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 454.0390205 g/mol |
| Monoisotopic Mass | 454.0390205 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 784 |
| 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 |