487037-31-0
Product Name:
6-(4-tert-butylphenyl)-5-(cyclopropanecarbonyl)-9-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Formula:
C34H36N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 520.7 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 520.27259301 g/mol |
| Monoisotopic Mass | 520.27259301 g/mol |
| Topological Polar Surface Area | 58.6 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 946 |
| 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 |