2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide
Chemical Structure Depiction of
2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide
2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C716-0203 |
| Compound Name: | 2-{[5-(4-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C21 H20 Cl N3 O5 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)OC)=O)SC1NC(C(=CN=1)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6659 |
| logD: | 2.4538 |
| logSw: | -4.2432 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.897 |
| InChI Key: | KOJALLGDIUBPEQ-KRWDZBQOSA-N |