885275-67-2
Product Name:
4-(carboxy-p-tolyl-methyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Formula:
C19H28N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 348.4 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 348.20490738 g/mol |
| Monoisotopic Mass | 348.20490738 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 467 |
| 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 |