5-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
5-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0110 |
| Compound Name: | 5-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCc1nc(c2ccccc2OCC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.5604 |
| logD: | 5.5603 |
| logSw: | -6.0486 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.519 |
| InChI Key: | GURCBNSLDGSTMQ-UHFFFAOYSA-N |