1008962-07-9
Product Name:
2-(5-BROMO-2-ETHOXY-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Formula:
C18H18BrNO5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 440.3 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 439.00891 g/mol |
| Monoisotopic Mass | 439.00891 g/mol |
| Topological Polar Surface Area | 92.3 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 607 |
| 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 |