2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V030-8287 |
| Compound Name: | 2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
| Molecular Weight: | 498.67 |
| Molecular Formula: | C28 H26 N4 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c2cc(c3cccs3)nc3cc(C)c(C)cc23)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2396 |
| logD: | 7.2395 |
| logSw: | -5.7356 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.641 |
| InChI Key: | RJQYVIFHYYZDMW-UHFFFAOYSA-N |