5-acetyl-4-(4-chlorophenyl)-6-methyl-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-4-(4-chlorophenyl)-6-methyl-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carbonitrile
5-acetyl-4-(4-chlorophenyl)-6-methyl-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 5608-0552 |
| Compound Name: | 5-acetyl-4-(4-chlorophenyl)-6-methyl-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 344.86 |
| Molecular Formula: | C18 H17 Cl N2 O S |
| Smiles: | CC1=C(C(c2ccc(cc2)[Cl])C(CC=C)(C#N)C(N1)=S)C(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.876 |
| logD: | 0.7881 |
| logSw: | -4.8188 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.297 |
| InChI Key: | RAACWZDSRFHLJL-UHFFFAOYSA-N |