887587-78-2
Product Name:
3-(4-CYANO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula:
C16H20N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 336.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 336.11437830 g/mol |
| Monoisotopic Mass | 336.11437830 g/mol |
| Topological Polar Surface Area | 95.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 586 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |