393831-12-4
Product Name:
1-(2,5-dimethoxyphenyl)-N-(m-tolyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Formula:
C23H25N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.5 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 407.16674822 g/mol |
| Monoisotopic Mass | 407.16674822 g/mol |
| Topological Polar Surface Area | 70.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 562 |
| 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 |