956912-54-2
Product Name:
(3S)-2-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Formula:
C22H21N3O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 439.4 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 439.13795002 g/mol |
| Monoisotopic Mass | 439.13795002 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 775 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |