N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | 2515-5791 |
| Compound Name: | N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C19 H21 N5 O3 S2 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCC1=NNC(N1Cc1ccccc1)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4282 |
| logD: | 2.3699 |
| logSw: | -2.813 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.789 |
| InChI Key: | YRBQPXCDUFUKDW-UHFFFAOYSA-N |