8-chloro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
8-chloro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
8-chloro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1763 |
| Compound Name: | 8-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(c2cccc(c2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0124 |
| logD: | 3.7518 |
| logSw: | -4.4205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.593 |
| InChI Key: | VOFDQSXHXRFCIR-UHFFFAOYSA-N |