2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)butanamide
Chemical Structure Depiction of
2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)butanamide
2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)butanamide
Compound characteristics
| Compound ID: | C716-0198 |
| Compound Name: | 2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)butanamide |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C21 H20 Cl N3 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(C)cc1)=O)SC1NC(C(=CN=1)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1069 |
| logD: | 2.8948 |
| logSw: | -4.4206 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.354 |
| InChI Key: | NHQNNUIMAWCMNL-KRWDZBQOSA-N |