2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 5025-0067 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C22 H16 N6 O4 S3 |
| Smiles: | C(C(Nc1ccc(cc1)S(Nc1nccs1)(=O)=O)=O)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4102 |
| logD: | -1.1428 |
| logSw: | -2.9188 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.716 |
| InChI Key: | RYGCQQFJTNJEIY-UHFFFAOYSA-N |