372497-39-7
Product Name:
10-[(4-chlorophenyl)acetyl]-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Formula:
C29H26ClN3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 516.0 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 515.1611840 g/mol |
| Monoisotopic Mass | 515.1611840 g/mol |
| Topological Polar Surface Area | 95.2 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 936 |
| 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 |