8-chloro-2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
8-chloro-2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
8-chloro-2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1699 |
| Compound Name: | 8-chloro-2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 306.77 |
| Molecular Formula: | C13 H11 Cl N4 O S |
| Smiles: | Cc1nnc([nH]1)SCC1=CC(c2cccc(c2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9922 |
| logD: | 1.573 |
| logSw: | -3.1358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.901 |
| InChI Key: | ALULHFBDHHAONC-UHFFFAOYSA-N |