2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
					Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
			2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0539 | 
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one | 
| Molecular Weight: | 453.56 | 
| Molecular Formula: | C23 H27 N5 O3 S | 
| Smiles: | CN1CCN(CC1)C(CSc1nnc(c2ccc(c(c2)OC)OC)n1c1ccccc1)=O | 
| Stereo: | ACHIRAL | 
| logP: | 2.3694 | 
| logD: | 2.2826 | 
| logSw: | -2.7745 | 
| Hydrogen bond acceptors count: | 8 | 
| Polar surface area: | 59.842 | 
| InChI Key: | ASGNYGFYALTPLK-UHFFFAOYSA-N | 
 
				 
				