2-(4-chlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}acetamide
2-(4-chlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}acetamide
Compound characteristics
| Compound ID: | 3330-2935 |
| Compound Name: | 2-(4-chlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}acetamide |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C21 H23 Cl N4 O2 S |
| Smiles: | CCc1cccc(CC)c1N1C(CNC(COc2ccc(cc2)[Cl])=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.0029 |
| logD: | 4.4422 |
| logSw: | -5.0019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.198 |
| InChI Key: | LQRNNMQIEUNAML-UHFFFAOYSA-N |