N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
					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-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
			N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | A0071070 | 
| Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide | 
| Molecular Weight: | 696.85 | 
| Molecular Formula: | C36 H36 N6 O5 S2 | 
| Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2OC)OC)N(C(CSc2nnc(CNC(c3cccs3)=O)n2CCc2ccccc2)=O)N=1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.709 | 
| logD: | 5.709 | 
| logSw: | -5.5151 | 
| Hydrogen bond acceptors count: | 11 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 100.139 | 
| InChI Key: | PVEUMWRBOXBFPZ-LJAQVGFWSA-N | 
 
				 
				