4-ethyl-5-(thiophen-2-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-ethyl-5-(thiophen-2-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-ethyl-5-(thiophen-2-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-2852 |
| Compound Name: | 4-ethyl-5-(thiophen-2-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C21 H17 N3 O S2 |
| Smiles: | CCN1C(c2cccs2)=NN(C2c3ccccc3Oc3ccccc23)C1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6128 |
| logD: | 5.5967 |
| logSw: | -5.6236 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.8192 |
| InChI Key: | SZMYJMZODWVYDN-UHFFFAOYSA-N |