N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | 3330-2971 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide |
| Molecular Weight: | 524.46 |
| Molecular Formula: | C20 H22 Br N5 O3 S2 |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(NCC1=NNC(N1c1ccc(cc1)[Br])=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.373 |
| logD: | 2.5224 |
| logSw: | -3.7481 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.61 |
| InChI Key: | YYGQTKAYYQXQJJ-UHFFFAOYSA-N |