865659-64-9
Product Name:
TERT-BUTYL 4-([4-(1,3-BENZODIOXOL-5-YLMETHYLENE)-5-OXO-2-THIOXO-1-IMIDAZOLIDINYL]METHYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
Formula:
C21H26N4O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.16239112 g/mol |
| Monoisotopic Mass | 446.16239112 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 759 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |