2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one
2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0682 |
| Compound Name: | 2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1ccc2C(C=C(CSc3nnc(c4cccc(c4)OC)[nH]3)Nc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1138 |
| logD: | 2.9372 |
| logSw: | -4.3366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.56 |
| InChI Key: | TXICTAKASVPHAQ-UHFFFAOYSA-N |