439096-50-1
Product Name:
3-[(3-METHYLBENZYL)SULFANYL]-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE
Formula:
C25H24N2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 384.5 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 384.16601995 g/mol |
| Monoisotopic Mass | 384.16601995 g/mol |
| Topological Polar Surface Area | 62 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 546 |
| 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 |