N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | A0070827 |
| Compound Name: | N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 650.76 |
| Molecular Formula: | C35 H34 N6 O5 S |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2ccco2)=O)nnc1SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5838 |
| logD: | 5.5838 |
| logSw: | -5.3837 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.24 |
| InChI Key: | RVGGDAFDIJDBNG-PMERELPUSA-N |