302802-72-8
Product Name:
dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Formula:
C19H18BrNO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 468.3 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 467.00382 g/mol |
| Monoisotopic Mass | 467.00382 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 597 |
| 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 |