5-[(4-methylanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-methylanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-methylanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5864-3965 |
| Compound Name: | 5-[(4-methylanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 296.39 |
| Molecular Formula: | C16 H16 N4 S |
| Smiles: | Cc1ccc(cc1)NCC1=NNC(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5291 |
| logD: | 2.6921 |
| logSw: | -3.6234 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.335 |
| InChI Key: | XCURPCTUTXFGJK-UHFFFAOYSA-N |