2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-4916 |
| Compound Name: | 2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 552.07 |
| Molecular Formula: | C24 H26 Cl N3 O6 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1cc(c(cc1OC)OC)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1118 |
| logD: | 2.47 |
| logSw: | -4.5143 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.703 |
| InChI Key: | LONHSKJRAYHDKJ-UHFFFAOYSA-N |