477709-22-1
Product Name:
ETHYL 5-(2-[2-(ALLYLAMINO)-2-OXOACETYL]-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C21H20N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 392.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 392.14845513 g/mol |
| Monoisotopic Mass | 392.14845513 g/mol |
| Topological Polar Surface Area | 95.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 620 |
| 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 |