477854-08-3
Product Name:
METHYL 1-[5-(3-CHLORO-2-THIENYL)-3-CYANO-1H-PYRROL-2-YL]-4-PIPERIDINECARBOXYLATE
Formula:
C16H16ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 349.8 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 349.0651756 g/mol |
| Monoisotopic Mass | 349.0651756 g/mol |
| Topological Polar Surface Area | 97.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 489 |
| 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 |