6-chloro-2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
6-chloro-2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1855 |
| Compound Name: | 6-chloro-2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C19 H15 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC1=CC(c2cc(ccc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0746 |
| logD: | 2.8829 |
| logSw: | -4.5372 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.812 |
| InChI Key: | CMEZNPPQPMKMHK-UHFFFAOYSA-N |