155104-15-7
Product Name:
Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)- quinazolinyl)-, 1-ethyl ester
Formula:
C21H19BrN2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 491.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 490.01981 g/mol |
| Monoisotopic Mass | 490.01981 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 695 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |