5-({[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
5-({[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0126 |
| Compound Name: | 5-({[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCn1c(CCc2ccccc2)nnc1SCc1nc(c2ccc(cc2)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.1074 |
| logD: | 5.1068 |
| logSw: | -5.1066 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.828 |
| InChI Key: | XTAYHKZFJVUXAA-UHFFFAOYSA-N |