692287-36-8
Product Name:
3-[(4-NITROBENZYL)SULFANYL]-1-[3-(TRIFLUOROMETHYL)PHENYL]-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE
Formula:
C24H18F3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 469.5 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 469.10718249 g/mol |
| Monoisotopic Mass | 469.10718249 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 729 |
| 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 |