N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethylbenzamide
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | 2515-5801 |
| Compound Name: | N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethylbenzamide |
| Molecular Weight: | 352.46 |
| Molecular Formula: | C19 H20 N4 O S |
| Smiles: | Cc1ccc(cc1C)C(NCC1=NNC(N1Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0764 |
| logD: | 4.018 |
| logSw: | -4.1719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.125 |
| InChI Key: | AJDUNTIMFOTUHV-UHFFFAOYSA-N |