N-{[4-(4-ethoxyphenyl)-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-fluorobenzamide
Chemical Structure Depiction of
N-{[4-(4-ethoxyphenyl)-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-fluorobenzamide
N-{[4-(4-ethoxyphenyl)-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-fluorobenzamide
Compound characteristics
| Compound ID: | A0070299 |
| Compound Name: | N-{[4-(4-ethoxyphenyl)-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-fluorobenzamide |
| Molecular Weight: | 670.79 |
| Molecular Formula: | C34 H31 F N6 O4 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2cccc(c2)F)=O)nnc1SCC(N1C(CC(c2cccs2)=N1)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9636 |
| logD: | 5.9635 |
| logSw: | -5.5185 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.68 |
| InChI Key: | IDIKFWSPDYFKTC-GDLZYMKVSA-N |