568544-05-8
Product Name:
2-(2-Chloro-propionylamino)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
Formula:
C15H20ClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 329.8 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 329.0852424 g/mol |
| Monoisotopic Mass | 329.0852424 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 406 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |