4-{[2-(5-{[(3-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-N,N-diethylaniline
Chemical Structure Depiction of
4-{[2-(5-{[(3-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-N,N-diethylaniline
4-{[2-(5-{[(3-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-N,N-diethylaniline
Compound characteristics
| Compound ID: | Y509-5677 |
| Compound Name: | 4-{[2-(5-{[(3-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-N,N-diethylaniline |
| Molecular Weight: | 459.41 |
| Molecular Formula: | C20 H23 Br N6 S |
| Smiles: | CCN(CC)c1ccc(/C=N/Nc2nnc([nH]2)SCc2cccc(c2)[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4606 |
| logD: | 4.4162 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.753 |
| InChI Key: | NELHYFAHSYGORJ-UHFFFAOYSA-N |