675142-68-4
Product Name:
1-[11-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Formula:
C29H27ClN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 503.0 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 502.1659350 g/mol |
| Monoisotopic Mass | 502.1659350 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 862 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |