727402-36-0
Product Name:
2-benzylsulfanyl-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Formula:
C25H26N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 478.6 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 478.16747650 g/mol |
| Monoisotopic Mass | 478.16747650 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 761 |
| 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 |