N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | 3330-2808 |
| Compound Name: | N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 439.32 |
| Molecular Formula: | C18 H16 Cl2 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C(NCC1=NNC(N1c1ccc(c(c1)[Cl])[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.578 |
| logD: | 1.8458 |
| logSw: | -4.0629 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.775 |
| InChI Key: | IYOYTVZNGVHBJQ-UHFFFAOYSA-N |