924097-36-9
Product Name:
Benzenepropanoic acid, β-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-, methyl ester
Formula:
C20H25N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 387.5 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 387.16166284 g/mol |
| Monoisotopic Mass | 387.16166284 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 473 |
| 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 |