2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C716-0604 |
| Compound Name: | 2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 570.44 |
| Molecular Formula: | C21 H20 Br N3 O7 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2329 |
| logD: | 0.5912 |
| logSw: | -3.0224 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.118 |
| InChI Key: | BAAKETCINOGYNY-UHFFFAOYSA-N |