N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | 3330-2797 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 404.87 |
| Molecular Formula: | C18 H17 Cl N4 O3 S |
| Smiles: | COc1cc(cc(c1)OC)C(NCC1=NNC(N1c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5197 |
| logD: | 1.7876 |
| logSw: | -3.9761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.602 |
| InChI Key: | ATRRYNGJLYVKOV-UHFFFAOYSA-N |