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Duplicate ID | |
---|---|
Molecule Name | 2-(hexadecylthio)-4,6-diphenylnicotinonitrile |
Smiles | CCCCCCCCCCCCCCCCSc1nc(cc(c1C#N)c1ccccc1)c1ccccc1 |
Cas Number | |
InchiKey | SRHLZZNVBARSFG-UHFFFAOYSA-N |
InChi | InChI=1S/C34H44N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-37-34-32(28-35)31(29-22-17-15-18-23-29)27-33(36-34)30-24-19-16-20-25-30/h15-20,22-25,27H,2-14,21,26H2,1H3 |
Formula | C34H44N2S |
Molecular weight | 512.792 |
Rings | 3 |
logP | 10.8607 |
PSA | 61.98 |
MR | 163.65 |