5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-2854 |
| Compound Name: | 5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 453.61 |
| Molecular Formula: | C28 H27 N3 O S |
| Smiles: | C1CCC(CC1)N1C(Cc2ccccc2)=NN(C2c3ccccc3Oc3ccccc23)C1=S |
| Stereo: | ACHIRAL |
| logP: | 6.9841 |
| logD: | 6.9657 |
| logSw: | -6.1716 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 21.882 |
| InChI Key: | VUCQOCOTXXDXOQ-UHFFFAOYSA-N |