1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | L850-1853 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 418.48 |
| Molecular Formula: | C21 H18 N6 O2 S |
| Smiles: | Cn1c(c2nc(c3ccccc3)no2)nnc1SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4825 |
| logD: | 3.4825 |
| logSw: | -3.7207 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.151 |
| InChI Key: | AGEJKDWKJXPVHX-UHFFFAOYSA-N |