574010-55-2
Product Name:
3-CHLORO-N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)PROPANAMIDE
Formula:
C13H15ClN2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 282.79 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 282.0593620 g/mol |
| Monoisotopic Mass | 282.0593620 g/mol |
| Topological Polar Surface Area | 81.1 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 354 |
| 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 |