850241-40-6
Product Name:
2-chloro-6-(4-(methylthio)phenyl)-7-phenyl-7,9-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Formula:
C25H19ClN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.0 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 458.0968101 g/mol |
| Monoisotopic Mass | 458.0968101 g/mol |
| Topological Polar Surface Area | 77.3 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 708 |
| 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 |