8-chloro-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
8-chloro-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
8-chloro-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5835 |
| Compound Name: | 8-chloro-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 469 |
| Molecular Formula: | C24 H25 Cl N4 O2 S |
| Smiles: | CCn1c(COc2ccc(cc2)C(C)C)nnc1SCC1=CC(c2cccc(c2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4884 |
| logD: | 5.2278 |
| logSw: | -5.9649 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | HFSAORFMHLBVSB-UHFFFAOYSA-N |