34008-40-7
Product Name:
Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate
Formula:
C27H23NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.5 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 409.16779360 g/mol |
| Monoisotopic Mass | 409.16779360 g/mol |
| Topological Polar Surface Area | 56.3 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |