685106-54-1
Product Name:
3-METHYL-2-THIOXO-4-(3,4,5-TRIMETHOXYPHENYL)-1,2,3,4-TETRAHYDRO-5H-INDENO[1,2-D]PYRIMIDIN-5-ONE
Formula:
C21H20N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 396.5 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 396.11437830 g/mol |
| Monoisotopic Mass | 396.11437830 g/mol |
| Topological Polar Surface Area | 92.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 667 |
| 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 |