N-(2H-1,3-benzodioxol-5-yl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
					Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
			N-(2H-1,3-benzodioxol-5-yl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0263 | 
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | 
| Molecular Weight: | 465.5 | 
| Molecular Formula: | C23 H20 F N5 O3 S | 
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)F)SCC(Nc1ccc2c(c1)OCO2)=O | 
| Stereo: | ACHIRAL | 
| logP: | 3.6977 | 
| logD: | 3.6977 | 
| logSw: | -3.9654 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 68.851 | 
| InChI Key: | QLAPKYWEKNXWFA-UHFFFAOYSA-N | 
 
				 
				