N-(4-acetylphenyl)-2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
					Chemical Structure Depiction of
N-(4-acetylphenyl)-2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
			N-(4-acetylphenyl)-2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2644 | 
| Compound Name: | N-(4-acetylphenyl)-2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | 
| Molecular Weight: | 459.57 | 
| Molecular Formula: | C25 H25 N5 O2 S | 
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(Cc2cccn2C)n1Cc1ccccc1)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 3.5836 | 
| logD: | 3.5834 | 
| logSw: | -3.8199 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 64.819 | 
| InChI Key: | DCYYLSNOMYVBCB-UHFFFAOYSA-N | 
 
				 
				