2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
					Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
			2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0076 | 
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one | 
| Molecular Weight: | 422.55 | 
| Molecular Formula: | C23 H26 N4 O2 S | 
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.2416 | 
| logD: | 4.2416 | 
| logSw: | -4.1379 | 
| Hydrogen bond acceptors count: | 6 | 
| Polar surface area: | 48.649 | 
| InChI Key: | RHJZWBXBKMQVGE-UHFFFAOYSA-N | 
 
				 
				