2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one
2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V011-5194 |
| Compound Name: | 2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 526.68 |
| Molecular Formula: | C29 H26 N4 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1cc2c(cc(c3cccs3)nc2cc1C)c1nnc(n1CC=C)SCC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5915 |
| logD: | 7.5915 |
| logSw: | -5.7999 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.087 |
| InChI Key: | ILKRRIURJHWAPP-UHFFFAOYSA-N |