1260641-27-7
Product Name:
4-BOC-7-BROMO-1,2,3,5-TETRAHYDRO-BENZO[E][1,4]DIAZEPINE-3-CARBOXYLIC ACID 3-METHYL ESTER
Formula:
C16H21BrN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 385.25 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 384.06847 g/mol |
| Monoisotopic Mass | 384.06847 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 452 |
| 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 |