885459-34-7
Product Name:
5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine, 2-[[(4-bromophenyl)thio]methyl]-4-chloro-6,7-dihydro-
Formula:
C16H12BrClN2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.8 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 409.93138 g/mol |
| Monoisotopic Mass | 409.93138 g/mol |
| Topological Polar Surface Area | 79.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 394 |
| 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 |