2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C716-0585 |
| Compound Name: | 2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 540.41 |
| Molecular Formula: | C20 H18 Br N3 O6 S2 |
| Smiles: | COc1ccc(c(c1)NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)[Br])(=O)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5358 |
| logD: | 0.8941 |
| logSw: | -3.0448 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.617 |
| InChI Key: | LIYFITIYTBJCCT-UHFFFAOYSA-N |