187884-93-1
Product Name:
2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YLAMINO)-4-METHYLSULFANYLBUTYRIC ACID
Formula:
C16H22N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 306.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 306.14019912 g/mol |
| Monoisotopic Mass | 306.14019912 g/mol |
| Topological Polar Surface Area | 87 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 409 |
| 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 |