439096-33-0
Product Name:
3-[(CYANOMETHYL)SULFANYL]-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE
Formula:
C19H17N3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 319.4 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 319.11431873 g/mol |
| Monoisotopic Mass | 319.11431873 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 493 |
| 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 |