N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Chemical Structure Depiction of
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Compound characteristics
| Compound ID: | A0070716 |
| Compound Name: | N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide |
| Molecular Weight: | 676.8 |
| Molecular Formula: | C37 H36 N6 O5 S |
| Smiles: | Cc1cccc(c1)n1c(CNC(COc2ccccc2)=O)nnc1SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9483 |
| logD: | 5.9483 |
| logSw: | -5.6073 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.367 |
| InChI Key: | YQSDQPPGHTZRGX-XIFFEERXSA-N |