956969-28-1
Product Name:
methyl (2S)-2-[[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-4-methylsulfanylbutanoate
Formula:
C24H29FN2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 476.6 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 476.17812137 g/mol |
| Monoisotopic Mass | 476.17812137 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 648 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |