4-({[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-N,N-dimethylaniline
Chemical Structure Depiction of
4-({[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-N,N-dimethylaniline
4-({[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-N,N-dimethylaniline
Compound characteristics
| Compound ID: | K060-0082 |
| Compound Name: | 4-({[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-N,N-dimethylaniline |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C18 H19 N5 S |
| Smiles: | CN(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8392 |
| logD: | 2.8377 |
| logSw: | -3.0239 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.447 |
| InChI Key: | ACCIHRIPMVFQGT-UHFFFAOYSA-N |