6,8-dimethyl-2-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
6,8-dimethyl-2-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
6,8-dimethyl-2-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0856 |
| Compound Name: | 6,8-dimethyl-2-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C17 H20 N4 O S |
| Smiles: | CCCc1nnc([nH]1)SCC1=CC(c2cc(C)cc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0582 |
| logD: | 2.7288 |
| logSw: | -3.2634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.278 |
| InChI Key: | OJKCMPCDRKCGAR-UHFFFAOYSA-N |