2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one
2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5639 |
| Compound Name: | 2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CCn1c(COc2ccc(cc2)C(C)C)nnc1SCC1=CC(c2cc(C)ccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5429 |
| logD: | 5.5368 |
| logSw: | -5.3455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.236 |
| InChI Key: | TVGHIUBNEAJAJF-UHFFFAOYSA-N |