N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
Chemical Structure Depiction of
N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
Compound characteristics
Compound ID: | A0070998 |
Compound Name: | N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide |
Molecular Weight: | 690.82 |
Molecular Formula: | C38 H38 N6 O5 S |
Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2OC)OC)N(C(CSc2nnc(CNC(Cc3ccccc3)=O)n2Cc2ccccc2)=O)N=1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.61 |
logD: | 5.61 |
logSw: | -5.5388 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.928 |
InChI Key: | AMWJRZVZVJZKIU-YTTGMZPUSA-N |