477709-25-4
Product Name:
Ethyl 5-(2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
Formula:
C21H22N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 394.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 394.16410520 g/mol |
| Monoisotopic Mass | 394.16410520 g/mol |
| Topological Polar Surface Area | 95.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |