N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | A0070189 |
| Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide |
| Molecular Weight: | 676.8 |
| Molecular Formula: | C37 H36 N6 O5 S |
| Smiles: | Cc1cccc(c1)C(NCc1nnc(n1c1ccccc1)SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1cccc(c1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7682 |
| logD: | 5.7681 |
| logSw: | -5.5623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.885 |
| InChI Key: | ASROBYYCQCBMJB-HKBQPEDESA-N |