690689-55-5
Product Name:
3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-2-prop-2-enyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
Formula:
C18H14Cl2N2O2S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 457.4 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 455.9594466 g/mol |
| Monoisotopic Mass | 455.9594466 g/mol |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 677 |
| 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 |