1-(2-chloro-5-nitrophenyl)-2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(2-chloro-5-nitrophenyl)-2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(2-chloro-5-nitrophenyl)-2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8430-1495 |
| Compound Name: | 1-(2-chloro-5-nitrophenyl)-2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 476.94 |
| Molecular Formula: | C21 H21 Cl N4 O5 S |
| Smiles: | CCn1c(Cc2ccc(c(c2)OC)OC)nnc1SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8266 |
| logD: | 3.8266 |
| logSw: | -4.3531 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.831 |
| InChI Key: | SROKGCNBDIEHIB-UHFFFAOYSA-N |