N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
Compound characteristics
| Compound ID: | A0070658 |
| Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide |
| Molecular Weight: | 690.82 |
| Molecular Formula: | C38 H38 N6 O5 S |
| Smiles: | Cc1cccc(c1)n1c(CNC(Cc2ccccc2)=O)nnc1SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8717 |
| logD: | 5.8717 |
| logSw: | -5.5635 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.672 |
| InChI Key: | YPECCALANQXRAY-YTTGMZPUSA-N |