N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J037-0275 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C21 H21 N3 O5 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N(C)C)(=O)=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8356 |
| logD: | 3.8356 |
| logSw: | -3.9505 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.587 |
| InChI Key: | VURJOHMLYXFHPR-UHFFFAOYSA-N |