N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | A0070576 |
| Compound Name: | N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 686.78 |
| Molecular Formula: | C34 H31 F N6 O5 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1252 |
| logD: | 5.1252 |
| logSw: | -5.0831 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.817 |
| InChI Key: | ZIEMMTWVLJPGJI-HHHXNRCGSA-N |