2-({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
2-({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1488 |
| Compound Name: | 2-({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CCn1c(COc2ccccc2)nnc1SCC1=CC(c2c(C)ccc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3196 |
| logD: | 4.2858 |
| logSw: | -4.3345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | ZOEMIGKMXBNEFJ-UHFFFAOYSA-N |