3-{[(3,4-dimethoxyphenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethoxyphenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
3-{[(3,4-dimethoxyphenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8010-5363 |
| Compound Name: | 3-{[(3,4-dimethoxyphenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Smiles: | Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3156 |
| logD: | 3.3156 |
| logSw: | -3.6407 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.693 |
| InChI Key: | LWHJNTXWVAQJMC-UHFFFAOYSA-N |