477857-81-1
Product Name:
METHYL 3-(2-[2-(4-BROMOANILINO)-2-OXOACETYL]-1H-PYRROL-1-YL)-2-THIOPHENECARBOXYLATE
Formula:
C18H13BrN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 433.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 431.97794 g/mol |
| Monoisotopic Mass | 431.97794 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 553 |
| 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 |