N-{[4-benzyl-5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Chemical Structure Depiction of
N-{[4-benzyl-5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
N-{[4-benzyl-5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Compound characteristics
| Compound ID: | A0070952 |
| Compound Name: | N-{[4-benzyl-5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide |
| Molecular Weight: | 664.76 |
| Molecular Formula: | C36 H33 F N6 O4 S |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)F)N(C(CSc2nnc(CNC(COc3ccccc3)=O)n2Cc2ccccc2)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7333 |
| logD: | 5.7333 |
| logSw: | -5.5383 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.08 |
| InChI Key: | DNHJEJUOARTBJT-YTTGMZPUSA-N |