N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J037-0212 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C23 H25 N3 O5 S2 |
| Smiles: | CCN(CC)S(c1ccc2c(c1)c(C)cc(n2)SCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4221 |
| logD: | 4.4221 |
| logSw: | -4.3087 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.02 |
| InChI Key: | NQYGQBFWNACLFS-UHFFFAOYSA-N |