885270-37-1
Product Name:
4-CHLORO-2-(METHYLTHIO)-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-E][1,4]DIAZEPIN-5-ONE
Formula:
C8H9ClN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 244.70 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 244.0185598 g/mol |
| Monoisotopic Mass | 244.0185598 g/mol |
| Topological Polar Surface Area | 92.2 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 255 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |