2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one
2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0597 |
| Compound Name: | 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H18 N4 O S2 |
| Smiles: | CCn1c(c2cccs2)nnc1SCC1=CC(c2cc(C)ccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5069 |
| logD: | 4.5008 |
| logSw: | -4.2383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.779 |
| InChI Key: | LKYQSRWVJRAPGE-UHFFFAOYSA-N |