ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
					Chemical Structure Depiction of
ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
			ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V010-7837 | 
| Compound Name: | ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate | 
| Molecular Weight: | 409.55 | 
| Molecular Formula: | C23 H27 N3 O2 S | 
| Salt: | not_available | 
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(Cc2ccccc2)n1c1ccc(C)cc1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.5794 | 
| logD: | 5.5794 | 
| logSw: | -5.4084 | 
| Hydrogen bond acceptors count: | 6 | 
| Polar surface area: | 46.714 | 
| InChI Key: | ADJPHSHDNPKZLY-FQEVSTJZSA-N | 
 
				 
				