874627-49-3
Product Name:
2-[2-cyano-3-(4-methyl-3-nitrophenyl)prop-2-enam ido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbo xamide
Formula:
C20H18N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 410.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 410.10487624 g/mol |
| Monoisotopic Mass | 410.10487624 g/mol |
| Topological Polar Surface Area | 170 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 755 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |