301680-88-6
Product Name:
Ethyl 2-((3-(2-chlorophenyl)-5-methylisoxazol-4-yl)carbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Formula:
C22H21ClN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.9 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 444.0910560 g/mol |
| Monoisotopic Mass | 444.0910560 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 638 |
| 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 |