489403-55-6
Product Name:
3-[2-(4-bromophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
Formula:
C25H18BrNO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 492.3 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 491.03684 g/mol |
| Monoisotopic Mass | 491.03684 g/mol |
| Topological Polar Surface Area | 94.9 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 779 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |