6-methyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
6-methyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
6-methyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0644 |
| Compound Name: | 6-methyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)C(C=C(CSc1nnc(COc3ccccc3C)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0649 |
| logD: | 4.0588 |
| logSw: | -4.1621 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.408 |
| InChI Key: | LPRJGSSEVINGLN-UHFFFAOYSA-N |