313379-92-9
Product Name:
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Formula:
C18H15BrN2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 387.3 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 386.00885 g/mol |
| Monoisotopic Mass | 386.00885 g/mol |
| Topological Polar Surface Area | 79 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 469 |
| 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 |