5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8018-3942 |
| Compound Name: | 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | CCN1C(c2ccc(cc2)OCC)=NN(C2c3ccccc3Oc3ccccc23)C1=S |
| Stereo: | ACHIRAL |
| logP: | 6.1448 |
| logD: | 6.1308 |
| logSw: | -5.7681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.9244 |
| InChI Key: | HODQMGYCRCUIAV-UHFFFAOYSA-N |