5,7-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
5,7-dimethyl-2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
5,7-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: | G751-1320 |
| Compound Name: | 5,7-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: | Cc1cc(C)c2C(C=C(CSc3nnc(COc4ccccc4C)n3C)Nc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.473 |
| logD: | 4.4599 |
| logSw: | -4.5046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.408 |
| InChI Key: | PDDCKEMTCNMZRL-UHFFFAOYSA-N |