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-(3-fluorophenyl)ethan-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-(3-fluorophenyl)ethan-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-(3-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | V011-8322 |
| 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-(3-fluorophenyl)ethan-1-one |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C28 H25 F N4 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c2cc(c3cccs3)nc3cc(C)c(C)cc23)nnc1SCC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7025 |
| logD: | 7.7024 |
| logSw: | -5.8102 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.641 |
| InChI Key: | RRSDEWILHJGKPP-UHFFFAOYSA-N |