691868-95-8
Product Name:
3-([4-(TERT-BUTYL)BENZYL]SULFANYL)-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE
Formula:
C28H30N2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 426.6 g/mol |
|---|---|
| XLogP3 | 8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 426.21297014 g/mol |
| Monoisotopic Mass | 426.21297014 g/mol |
| Topological Polar Surface Area | 62 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 615 |
| 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 |