7,8-dimethyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
7,8-dimethyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
7,8-dimethyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0813 |
| Compound Name: | 7,8-dimethyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | Cc1ccccc1OCc1nnc(n1C)SCC1=CC(c2ccc(C)c(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2575 |
| logD: | 4.2522 |
| logSw: | -4.4569 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.155 |
| InChI Key: | HWQVTGCTOWLNLE-UHFFFAOYSA-N |