N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | 3330-2958 |
| Compound Name: | N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide |
| Molecular Weight: | 486.4 |
| Molecular Formula: | C18 H17 Cl2 N5 O3 S2 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCC1=NNC(N1c1ccc(c(c1)[Cl])[Cl])=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2915 |
| logD: | 1.5594 |
| logSw: | -3.8183 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.178 |
| InChI Key: | LCVJMFGUFFGYKK-UHFFFAOYSA-N |