2-[(2-chloroanilino)methyl]-5-phenyl-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(2-chloroanilino)methyl]-5-phenyl-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(2-chloroanilino)methyl]-5-phenyl-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8009-5675 |
| Compound Name: | 2-[(2-chloroanilino)methyl]-5-phenyl-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 356.87 |
| Molecular Formula: | C18 H17 Cl N4 S |
| Smiles: | C=CCN1C(c2ccccc2)=NN(CNc2ccccc2[Cl])C1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4519 |
| logD: | 4.4517 |
| logSw: | -4.6093 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.5502 |
| InChI Key: | DMHCKIDLXVTRQJ-UHFFFAOYSA-N |