N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | A0070570 |
| Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 698.82 |
| Molecular Formula: | C35 H34 N6 O6 S2 |
| Smiles: | COc1ccc(cc1OC)C(NCc1nnc(n1c1ccccc1)SCC(N1C(CC(c2cccs2)=N1)c1cccc(c1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8759 |
| logD: | 4.8759 |
| logSw: | -4.7018 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.621 |
| InChI Key: | BAYVJIJFPGIHPD-AREMUKBSSA-N |