2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G605-0118 |
| Compound Name: | 2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 509.99 |
| Molecular Formula: | C21 H20 Cl N3 O6 S2 |
| Smiles: | Cc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(Nc1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5736 |
| logD: | 0.9319 |
| logSw: | -3.3738 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.401 |
| InChI Key: | XJMALRIMJTWPIT-UHFFFAOYSA-N |