4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 6232-0079 |
| Compound Name: | 4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | Cc1ccccc1OCC1=NN(C2c3ccccc3Oc3ccccc23)C(N1C)=S |
| Stereo: | ACHIRAL |
| logP: | 5.4131 |
| logD: | 5.394 |
| logSw: | -5.5599 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.2834 |
| InChI Key: | SBFBQRQJBOCWEM-UHFFFAOYSA-N |