3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
					Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
			3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V003-1737 | 
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole | 
| Molecular Weight: | 436.36 | 
| Molecular Formula: | C20 H19 Cl2 N3 O2 S | 
| Salt: | not_available | 
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1CC=C)SCc1ccc(c(c1)[Cl])[Cl] | 
| Stereo: | ACHIRAL | 
| logP: | 5.9274 | 
| logD: | 5.9274 | 
| logSw: | -6.3372 | 
| Hydrogen bond acceptors count: | 5 | 
| Polar surface area: | 39.307 | 
| InChI Key: | HIUYFQRTQFBYKP-UHFFFAOYSA-N | 
 
				 
				