477766-89-5
Product Name:
3,9a-Dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine
Formula:
C14H15N7O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 313.31 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 313.12872275 g/mol |
| Monoisotopic Mass | 313.12872275 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 528 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |