313650-44-1
Product Name:
ethyl 7-bromo-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4H-benzo[e][1,4]diazepine-4-carboxylate
Formula:
C18H17BrN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 389.2 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 388.04225 g/mol |
| Monoisotopic Mass | 388.04225 g/mol |
| Topological Polar Surface Area | 58.6 Ų |
| Heavy Atom Count | 24 |
| 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 |