3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8005-2187 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.4066 |
| logD: | 3.4066 |
| logSw: | -3.8342 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.245 |
| InChI Key: | NJHJESZWPRZAGN-UHFFFAOYSA-N |