488804-14-4
Product Name:
7-tert-butyl-3-(3-methylphenyl)-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula:
C25H30N2OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.7 g/mol |
|---|---|
| XLogP3 | 7.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 438.17995593 g/mol |
| Monoisotopic Mass | 438.17995593 g/mol |
| Topological Polar Surface Area | 86.2 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 712 |
| 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 |