8-chloro-2-[({5-[(2,3-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
8-chloro-2-[({5-[(2,3-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
8-chloro-2-[({5-[(2,3-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5810 |
| Compound Name: | 8-chloro-2-[({5-[(2,3-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | Cc1cccc(c1C)OCc1nnc(n1C)SCC1=CC(c2cccc(c2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4136 |
| logD: | 4.153 |
| logSw: | -4.5893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.155 |
| InChI Key: | XVHAPDBTIYHRDM-UHFFFAOYSA-N |