2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 4715-0117 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C25 H21 N7 O4 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(CSC2NC(C(C#N)=C(c3ccccc3)N=2)=O)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2379 |
| logD: | -1.3151 |
| logSw: | -3.0032 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 134.556 |
| InChI Key: | IUJPONXESIYPRV-UHFFFAOYSA-N |