4-(dimethylsulfamoyl)-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5620 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C19 H21 N5 O4 S2 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCC1=NNC(N1c1ccc(cc1)OC)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.935 |
| logD: | 1.0843 |
| logSw: | -2.766 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.722 |
| InChI Key: | QQYTZUOAIOPXSJ-UHFFFAOYSA-N |