691870-04-9
Product Name:
4-(1,3-BENZODIOXOL-5-YL)-2-THIOXO-1,2,3,4-TETRAHYDRO-5H-INDENO[1,2-D]PYRIMIDIN-5-ONE
Formula:
C18H12N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 336.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 336.05686342 g/mol |
| Monoisotopic Mass | 336.05686342 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 619 |
| 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 |