N-(2,5-dimethylphenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
N-(2,5-dimethylphenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D308-0038 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc2cc(C)c3cccc(C)c3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4696 |
| logD: | 4.4696 |
| logSw: | -4.3434 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.309 |
| InChI Key: | KYMVTGNEMHRKJL-UHFFFAOYSA-N |