N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Chemical Structure Depiction of
N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Compound characteristics
| Compound ID: | 3330-2923 |
| Compound Name: | N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cc1cccc(c1)N1C(CNC(COc2ccccc2)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.9765 |
| logD: | 2.6419 |
| logSw: | -3.2384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.8 |
| InChI Key: | SSYKFSJGDZPTDN-UHFFFAOYSA-N |