442570-03-8
Product Name:
5-(cyclopropanecarbonyl)-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Formula:
C27H24N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 440.6 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 440.15584919 g/mol |
| Monoisotopic Mass | 440.15584919 g/mol |
| Topological Polar Surface Area | 77.6 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 785 |
| 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 |