5-({[5-(4-chlorophenyl)-4-propyl-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-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
5-({[5-(4-chlorophenyl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0111 |
| Compound Name: | 5-({[5-(4-chlorophenyl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CCCn1c(c2ccc(cc2)[Cl])nnc1SCc1nc(c2ccccc2OCC)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.0179 |
| logD: | 6.0179 |
| logSw: | -6.2427 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.772 |
| InChI Key: | UKPUMJLBBGVBGJ-UHFFFAOYSA-N |