2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-ethylphenyl)butanamide
Chemical Structure Depiction of
2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-ethylphenyl)butanamide
2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-ethylphenyl)butanamide
Compound characteristics
| Compound ID: | C716-0197 |
| Compound Name: | 2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-ethylphenyl)butanamide |
| Molecular Weight: | 492.01 |
| Molecular Formula: | C22 H22 Cl N3 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(CC)cc1)=O)SC1NC(C(=CN=1)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6142 |
| logD: | 3.4021 |
| logSw: | -4.6821 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.354 |
| InChI Key: | KCQWDFWDAUXIAN-SFHVURJKSA-N |