951999-92-1
Product Name:
N-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide
Formula:
C25H29N5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.6 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 463.20419636 g/mol |
| Monoisotopic Mass | 463.20419636 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 766 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |