4-benzyl-5-methyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-benzyl-5-methyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-benzyl-5-methyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-2855 |
| Compound Name: | 4-benzyl-5-methyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C23 H19 N3 O S |
| Smiles: | CC1=NN(C2c3ccccc3Oc3ccccc23)C(N1Cc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6091 |
| logD: | 5.5903 |
| logSw: | -5.6206 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 21.8402 |
| InChI Key: | ZZSVQWBANMFYTD-UHFFFAOYSA-N |