1237542-10-7
Product Name:
2-Azaspiro[3.3]heptane-6,6-dicarboxylic acid, 2-[(4-Methylphenyl)sulfonyl]-, 6,6-bis(1-Methylethyl) ester
Formula:
C21H29NO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 423.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 423.17155882 g/mol |
| Monoisotopic Mass | 423.17155882 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 708 |
| 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 |