N-(2,5-dimethylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide
N-(2,5-dimethylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | C716-0101 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | CCC(C(Nc1cc(C)ccc1C)=O)SC1NC(C(=CN=1)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.852 |
| logD: | 2.6399 |
| logSw: | -3.7854 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.656 |
| InChI Key: | RAYJPGHVISNTMG-IBGZPJMESA-N |