727404-07-1
Product Name:
9-(2,4-dimethoxyphenyl)-2-ethylsulfanyl-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Formula:
C21H26N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 414.17256188 g/mol |
| Monoisotopic Mass | 414.17256188 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 670 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |