2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1442 |
| Compound Name: | 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C20 H20 N4 O S2 |
| Smiles: | CCn1c(c2cccs2)nnc1SCC1=CC(c2c(C)ccc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6503 |
| logD: | 4.6165 |
| logSw: | -4.4398 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.527 |
| InChI Key: | PJAFBWDKMQGYBS-UHFFFAOYSA-N |