2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 3715-0094 |
| Compound Name: | 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C24 H24 N6 O3 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(CSc2c(C#N)cc3CCCCc3n2)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4267 |
| logD: | 2.9444 |
| logSw: | -3.8054 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.309 |
| InChI Key: | ALRIJRZVZDORRC-UHFFFAOYSA-N |