4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8018-5555 |
| Compound Name: | 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C30 H25 N3 O2 S |
| Smiles: | Cc1ccccc1OCC1=NN(C2c3ccccc3Oc3ccccc23)C(N1Cc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.253 |
| logD: | 7.2342 |
| logSw: | -5.9322 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.2461 |
| InChI Key: | CWCYUCZSTVGYON-UHFFFAOYSA-N |