N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
					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-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
			N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | A0070266 | 
| Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide | 
| Molecular Weight: | 618.69 | 
| Molecular Formula: | C31 H31 F N6 O5 S | 
| Smiles: | Cn1c(CNC(c2ccccc2F)=O)nnc1SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1cccc(c1OC)OC)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.2267 | 
| logD: | 4.2267 | 
| logSw: | -4.4036 | 
| Hydrogen bond acceptors count: | 11 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 100.223 | 
| InChI Key: | ZHLIQDARDMDWIO-VWLOTQADSA-N | 
 
				 
				