1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | L850-0124 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 476.56 |
| Molecular Formula: | C24 H24 N6 O3 S |
| Smiles: | CCn1c(c2nc(c3ccc(cc3)OC)no2)nnc1SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3059 |
| logD: | 4.3059 |
| logSw: | -4.1592 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.241 |
| InChI Key: | IIGIWJPIEUOAQF-UHFFFAOYSA-N |