1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 5311-0258 |
| Compound Name: | 1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | [H]C(C(N1C(CC(c2ccc(cc2)OC)=N1)c1cccc(c1OC)OC)=O)Sc1nncn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1206 |
| logD: | 3.1206 |
| logSw: | -3.2142 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.244 |
| InChI Key: | WOCVIWHWACLPHB-IBGZPJMESA-N |