1251001-37-2
Product Name:
Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
Formula:
C16H16ClN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.77 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 317.0931045 g/mol |
| Monoisotopic Mass | 317.0931045 g/mol |
| Topological Polar Surface Area | 55.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 376 |
| 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 |