6-chloro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
6-chloro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1921 |
| Compound Name: | 6-chloro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 382.87 |
| Molecular Formula: | C19 H15 Cl N4 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC1=CC(c2cc(ccc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3413 |
| logD: | 4.1182 |
| logSw: | -4.5879 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.846 |
| InChI Key: | CEFYUFPURFWUGQ-UHFFFAOYSA-N |