488090-27-3
Product Name:
4-phenyl-N-(5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-ylidene)butan-2-amine
Formula:
C28H33N5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 471.7 g/mol |
|---|---|
| XLogP3 | 7.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 471.24566725 g/mol |
| Monoisotopic Mass | 471.24566725 g/mol |
| Topological Polar Surface Area | 82.2 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 651 |
| 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 |