2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8430-1461 |
| Compound Name: | 2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCn1c(Cc2ccc(c(c2)OC)OC)nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1337 |
| logD: | 3.1337 |
| logSw: | -3.5194 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.831 |
| InChI Key: | GHEKPOMBNKSMFW-UHFFFAOYSA-N |