6-chloro-2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
6-chloro-2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1858 |
| Compound Name: | 6-chloro-2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 320.8 |
| Molecular Formula: | C14 H13 Cl N4 O S |
| Smiles: | CCc1nnc([nH]1)SCC1=CC(c2cc(ccc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8329 |
| logD: | 2.5036 |
| logSw: | -3.5642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.531 |
| InChI Key: | GSUZLRWCEIFNFC-UHFFFAOYSA-N |