N-{[4-(4-ethoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
					Chemical Structure Depiction of
N-{[4-(4-ethoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
			N-{[4-(4-ethoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | A0070297 | 
| Compound Name: | N-{[4-(4-ethoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide | 
| Molecular Weight: | 654.79 | 
| Molecular Formula: | C34 H31 F N6 O3 S2 | 
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2cccc(c2)F)=O)nnc1SCC(N1C(CC(c2cccs2)=N1)c1ccc(C)cc1)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 6.4046 | 
| logD: | 6.4045 | 
| logSw: | -5.6324 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 85.136 | 
| InChI Key: | DQICRMMJKNGSQE-GDLZYMKVSA-N | 
 
				 
				