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 | 
 
				 
				