53365-80-3
Product Name:
2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
Formula:
C22H27NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.5 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 401.18383758 g/mol |
| Monoisotopic Mass | 401.18383758 g/mol |
| Topological Polar Surface Area | 94.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 578 |
| 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 |